(3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide

C17H19N3O2 — CID 96539117

IUPAC(3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide
SMILESCC(=O)Nc1cccc(NC(=O)C[C@H](C)c2ccncc2)c1
InChIInChI=1S/C17H19N3O2/c1-12(14-6-8-18-9-7-14)10-17(22)20-16-5-3-4-15(11-16)19-13(2)21/h3-9,11-12H,10H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1
InChIKeyPUNCSNUIWAPMRB-LBPRGKRZSA-N
MW297.36 g/mol
LogP3.17
Rot. Bonds5

About (3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide

(3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide (PubChem CID 96539117) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name(3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide
PubChem CID96539117
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide
SMILESCC(=O)Nc1cccc(NC(=O)C[C@H](C)c2ccncc2)c1
InChIInChI=1S/C17H19N3O2/c1-12(14-6-8-18-9-7-14)10-17(22)20-16-5-3-4-15(11-16)19-13(2)21/h3-9,11-12H,10H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1
InChIKeyPUNCSNUIWAPMRB-LBPRGKRZSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3,3-diphenylpropanamide
CID 1190632
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409885
3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026
N-(3-acetamidophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 859978
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
4-(3-acetamidoanilino)-4-oxobutanoic acid
CID 825460
N,3-bis(4-methylphenyl)butanamide
CID 2750905
(3R)-N,3-bis(4-methylphenyl)butanamide
CID 7054484
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide?
The IUPAC name of (3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide (CID 96539117) is (3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide.
What is the SMILES notation for (3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide?
The canonical SMILES for (3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide is CC(=O)Nc1cccc(NC(=O)C[C@H](C)c2ccncc2)c1.
What is the InChIKey of (3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide?
The InChIKey is PUNCSNUIWAPMRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12(14-6-8-18-9-7-14)10-17(22)20-16-5-3-4-15(11-16)19-13(2)21/h3-9,11-12H,10H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1.
What are the key properties of (3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide?
(3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide has a molecular weight of 297.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-acetamidophenyl)-3-pyridin-4-ylbutanamide is sourced from PubChem (CID 96539117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).