N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C20H25N3O3S — CID 35029071

IUPACN-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1ccnc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C20H25N3O3S/c1-16-11-12-21-19(15-16)22-20(24)10-7-17-5-8-18(9-6-17)27(25,26)23-13-3-2-4-14-23/h5-6,8-9,11-12,15H,2-4,7,10,13-14H2,1H3,(H,21,22,24)
InChIKeyQNWPIDUYJCGKBO-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.14
Rot. Bonds6

About N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 35029071) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID35029071
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1ccnc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C20H25N3O3S/c1-16-11-12-21-19(15-16)22-20(24)10-7-17-5-8-18(9-6-17)27(25,26)23-13-3-2-4-14-23/h5-6,8-9,11-12,15H,2-4,7,10,13-14H2,1H3,(H,21,22,24)
InChIKeyQNWPIDUYJCGKBO-UHFFFAOYSA-N
XLogP3.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 2147569
N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60561901
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35036483
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420
3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 8762980
N-(2,6-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 16567459
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29369533
N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55889452
N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119515432
3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-2-ylpropanamide
CID 46655053
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 35029071) is N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is Cc1ccnc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is QNWPIDUYJCGKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16-11-12-21-19(15-16)22-20(24)10-7-17-5-8-18(9-6-17)27(25,26)23-13-3-2-4-14-23/h5-6,8-9,11-12,15H,2-4,7,10,13-14H2,1H3,(H,21,22,24).
What are the key properties of N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 387.51 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 35029071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).