N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide

C25H24ClN5O2 — CID 68844750

IUPACN-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide
SMILESCCC(C)(C#N)c1cccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cnc(N)c(Cl)c3)c2)c1
InChIInChI=1S/C25H24ClN5O2/c1-4-25(3,14-27)17-7-5-6-16(10-17)23(32)30-18-9-8-15(2)20(11-18)24(33)31-19-12-21(26)22(28)29-13-19/h5-13H,4H2,1-3H3,(H2,28,29)(H,30,32)(H,31,33)
InChIKeyNWUJKLSOBCDJOP-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.32
Rot. Bonds6

About N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide

N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide (PubChem CID 68844750) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide.

Molecular Properties

Compound NameN-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide
PubChem CID68844750
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC NameN-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide
SMILESCCC(C)(C#N)c1cccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cnc(N)c(Cl)c3)c2)c1
InChIInChI=1S/C25H24ClN5O2/c1-4-25(3,14-27)17-7-5-6-16(10-17)23(32)30-18-9-8-15(2)20(11-18)24(33)31-19-12-21(26)22(28)29-13-19/h5-13H,4H2,1-3H3,(H2,28,29)(H,30,32)(H,31,33)
InChIKeyNWUJKLSOBCDJOP-UHFFFAOYSA-N
XLogP5.32
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide with MolForge

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Related Compounds

5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 68847839
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-[5-(methoxymethyl)-3-pyridinyl]-2-methylbenzamide
CID 68845465
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide;formamide
CID 138690897
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(2-formyl-1,3-thiazol-5-yl)-2-methylbenzamide
CID 87763451
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[5-(1H-pyrazol-4-yl)-3-pyridinyl]benzamide
CID 68844911
N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide
CID 68878635
2-chloro-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 71456645
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-cyclohepta-1,4,6-trien-1-yl-2-methylbenzamide
CID 178031575
N-(5-methoxy-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845366
4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride
CID 119738309
N-(2-aminopyrimidin-5-yl)-2-ethyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 91120622
5-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-N-methylpyridine-3,5-dicarboxamide
CID 69443345

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide?
The IUPAC name of N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide (CID 68844750) is N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide.
What is the SMILES notation for N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide?
The canonical SMILES for N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide is CCC(C)(C#N)c1cccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cnc(N)c(Cl)c3)c2)c1.
What is the InChIKey of N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide?
The InChIKey is NWUJKLSOBCDJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c1-4-25(3,14-27)17-7-5-6-16(10-17)23(32)30-18-9-8-15(2)20(11-18)24(33)31-19-12-21(26)22(28)29-13-19/h5-13H,4H2,1-3H3,(H2,28,29)(H,30,32)(H,31,33).
What are the key properties of N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide?
N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide has a molecular weight of 461.95 g/mol, XLogP of 5.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide is sourced from PubChem (CID 68844750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).