N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide

C110H145ClF4N10O17S3 — CID 159892568

IUPACN-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide
SMILESCC(C)C(F)(F)C(=O)Nc1ccccn1.CC(C)CC(=O)Nc1ccccn1.CC(C)CC(=O)Nc1cccnc1.CC(C)CC(=O)Nc1ncccc1Cl.CC(C)CC(=O)c1ccc(F)c(F)c1.CC(C)CC(=O)c1ccccc1S(C)(=O)=O.COOSc1ccc(C(=O)CC(C)C)cc1.COOSc1cccc(C(=O)CC(C)C)c1.COc1ccc(C(=O)CC(C)C)cc1.Cc1cccc(NC(=O)CC(C)C)n1
InChIInChI=1S/3C12H16O3S.C12H16O2.C11H12F2O.C11H16N2O.C10H13ClN2O.C10H12F2N2O.2C10H14N2O/c1-9(2)8-12(13)10-4-6-11(7-5-10)16-15-14-3;1-9(2)7-12(13)10-5-4-6-11(8-10)16-15-14-3;1-9(2)8-11(13)10-6-4-5-7-12(10)16(3,14)15;1-9(2)8-12(13)10-4-6-11(14-3)7-5-10;1-7(2)5-11(14)8-3-4-9(12)10(13)6-8;1-8(2)7-11(14)13-10-6-4-5-9(3)12-10;1-7(2)6-9(14)13-10-8(11)4-3-5-12-10;1-7(2)10(11,12)9(15)14-8-5-3-4-6-13-8;1-8(2)6-10(13)12-9-4-3-5-11-7-9;1-8(2)7-10(13)12-9-5-3-4-6-11-9/h4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;4-7,9H,8H2,1-3H3;3-4,6-7H,5H2,1-2H3;4-6,8H,7H2,1-3H3,(H,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13,14);3-7H,1-2H3,(H,13,14,15);3-5,7-8H,6H2,1-2H3,(H,12,13);3-6,8H,7H2,1-2H3,(H,11,12,13)
InChIKeyNUYDOVLAMFJFCZ-UHFFFAOYSA-N
MW2087.07 g/mol
LogP26.98
Rot. Bonds38

About N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide

N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide (PubChem CID 159892568) has the molecular formula C110H145ClF4N10O17S3 and a molecular weight of 2087.07 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide
PubChem CID159892568
Molecular FormulaC110H145ClF4N10O17S3
Molecular Weight2087.07 g/mol
Exact Mass2084.96
IUPAC NameN-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide
SMILESCC(C)C(F)(F)C(=O)Nc1ccccn1.CC(C)CC(=O)Nc1ccccn1.CC(C)CC(=O)Nc1cccnc1.CC(C)CC(=O)Nc1ncccc1Cl.CC(C)CC(=O)c1ccc(F)c(F)c1.CC(C)CC(=O)c1ccccc1S(C)(=O)=O.COOSc1ccc(C(=O)CC(C)C)cc1.COOSc1cccc(C(=O)CC(C)C)c1.COc1ccc(C(=O)CC(C)C)cc1.Cc1cccc(NC(=O)CC(C)C)n1
InChIInChI=1S/3C12H16O3S.C12H16O2.C11H12F2O.C11H16N2O.C10H13ClN2O.C10H12F2N2O.2C10H14N2O/c1-9(2)8-12(13)10-4-6-11(7-5-10)16-15-14-3;1-9(2)7-12(13)10-5-4-6-11(8-10)16-15-14-3;1-9(2)8-11(13)10-6-4-5-7-12(10)16(3,14)15;1-9(2)8-12(13)10-4-6-11(14-3)7-5-10;1-7(2)5-11(14)8-3-4-9(12)10(13)6-8;1-8(2)7-11(14)13-10-6-4-5-9(3)12-10;1-7(2)6-9(14)13-10-8(11)4-3-5-12-10;1-7(2)10(11,12)9(15)14-8-5-3-4-6-13-8;1-8(2)6-10(13)12-9-4-3-5-11-7-9;1-8(2)7-10(13)12-9-5-3-4-6-11-9/h4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;4-7,9H,8H2,1-3H3;3-4,6-7H,5H2,1-2H3;4-6,8H,7H2,1-3H3,(H,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13,14);3-7H,1-2H3,(H,13,14,15);3-5,7-8H,6H2,1-2H3,(H,12,13);3-6,8H,7H2,1-2H3,(H,11,12,13)
InChIKeyNUYDOVLAMFJFCZ-UHFFFAOYSA-N
XLogP26.98
TPSA375.59 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds38
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002087.07
LogP ≤ 526.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide with MolForge

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-4-methoxybenzamide;N-(3-benzamido-4-chlorophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-(3-benzamido-4-chlorophenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[(2-fluoropyridine-3-carbonyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(2-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 159154860
N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-3-ylbutanamide
CID 159410897
N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3-isocyanophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;2-(3-methylbutanoyl)benzonitrile;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-3-ylbutanamide
CID 160356711
3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 159105884
6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one
CID 160931875

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide (CID 159892568) is N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide is CC(C)C(F)(F)C(=O)Nc1ccccn1.CC(C)CC(=O)Nc1ccccn1.CC(C)CC(=O)Nc1cccnc1.CC(C)CC(=O)Nc1ncccc1Cl.CC(C)CC(=O)c1ccc(F)c(F)c1.CC(C)CC(=O)c1ccccc1S(C)(=O)=O.COOSc1ccc(C(=O)CC(C)C)cc1.COOSc1cccc(C(=O)CC(C)C)c1.COc1ccc(C(=O)CC(C)C)cc1.Cc1cccc(NC(=O)CC(C)C)n1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide?
The InChIKey is NUYDOVLAMFJFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H16O3S.C12H16O2.C11H12F2O.C11H16N2O.C10H13ClN2O.C10H12F2N2O.2C10H14N2O/c1-9(2)8-12(13)10-4-6-11(7-5-10)16-15-14-3;1-9(2)7-12(13)10-5-4-6-11(8-10)16-15-14-3;1-9(2)8-11(13)10-6-4-5-7-12(10)16(3,14)15;1-9(2)8-12(13)10-4-6-11(14-3)7-5-10;1-7(2)5-11(14)8-3-4-9(12)10(13)6-8;1-8(2)7-11(14)13-10-6-4-5-9(3)12-10;1-7(2)6-9(14)13-10-8(11)4-3-5-12-10;1-7(2)10(11,12)9(15)14-8-5-3-4-6-13-8;1-8(2)6-10(13)12-9-4-3-5-11-7-9;1-8(2)7-10(13)12-9-5-3-4-6-11-9/h4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;4-7,9H,8H2,1-3H3;3-4,6-7H,5H2,1-2H3;4-6,8H,7H2,1-3H3,(H,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13,14);3-7H,1-2H3,(H,13,14,15);3-5,7-8H,6H2,1-2H3,(H,12,13);3-6,8H,7H2,1-2H3,(H,11,12,13).
What are the key properties of N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide?
N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide has a molecular weight of 2087.07 g/mol, XLogP of 26.98, 38 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-3-methylbutanamide;2,2-difluoro-3-methyl-N-pyridin-2-ylbutanamide;1-(3,4-difluorophenyl)-3-methylbutan-1-one;1-(4-methoxyphenyl)-3-methylbutan-1-one;3-methyl-1-(3-methylperoxysulfanylphenyl)butan-1-one;3-methyl-1-(4-methylperoxysulfanylphenyl)butan-1-one;3-methyl-N-(6-methyl-2-pyridinyl)butanamide;3-methyl-1-(2-methylsulfonylphenyl)butan-1-one;3-methyl-N-pyridin-2-ylbutanamide;3-methyl-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 159892568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).