3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide

C17H19N3O2 — CID 51314411

IUPAC3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccncc1)c1ccc(C)cc1
InChIInChI=1S/C17H19N3O2/c1-12-3-5-14(6-4-12)16(19-13(2)21)11-17(22)20-15-7-9-18-10-8-15/h3-10,16H,11H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyKXPCSUZYXKIKJK-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.60
Rot. Bonds5

About 3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide

3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide (PubChem CID 51314411) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
PubChem CID51314411
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccncc1)c1ccc(C)cc1
InChIInChI=1S/C17H19N3O2/c1-12-3-5-14(6-4-12)16(19-13(2)21)11-17(22)20-15-7-9-18-10-8-15/h3-10,16H,11H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyKXPCSUZYXKIKJK-UHFFFAOYSA-N
XLogP2.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26700777
3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195190
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
(3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 95585277
3-acetamido-N-[4-(4-methylphenoxy)phenyl]-3-phenylpropanamide
CID 24636973
2-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]phenyl]acetic acid
CID 119351562
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
methyl 5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-chlorobenzoate
CID 55556906
3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide
CID 46420486

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide (CID 51314411) is 3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide is CC(=O)NC(CC(=O)Nc1ccncc1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide?
The InChIKey is KXPCSUZYXKIKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-3-5-14(6-4-12)16(19-13(2)21)11-17(22)20-15-7-9-18-10-8-15/h3-10,16H,11H2,1-2H3,(H,19,21)(H,18,20,22).
What are the key properties of 3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide?
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide has a molecular weight of 297.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 51314411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).