(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide

C17H18ClN3O3 — CID 95352314

IUPAC(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide
SMILESCC(=O)N[C@H](CC(=O)NCc1ccc(=O)[nH]c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O3/c1-11(22)21-15(13-3-5-14(18)6-4-13)8-17(24)20-10-12-2-7-16(23)19-9-12/h2-7,9,15H,8,10H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t15-/m1/s1
InChIKeyAWOJHJOVNWXLND-OAHLLOKOSA-N
MW347.80 g/mol
LogP1.91
Rot. Bonds6

About (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide

(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide (PubChem CID 95352314) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide
PubChem CID95352314
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide
SMILESCC(=O)N[C@H](CC(=O)NCc1ccc(=O)[nH]c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O3/c1-11(22)21-15(13-3-5-14(18)6-4-13)8-17(24)20-10-12-2-7-16(23)19-9-12/h2-7,9,15H,8,10H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t15-/m1/s1
InChIKeyAWOJHJOVNWXLND-OAHLLOKOSA-N
XLogP1.91
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide with MolForge

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Related Compounds

(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 51980916
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide
CID 51195838
2-[[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244736
3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043579
(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 9303942
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 52516198
3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide
CID 55709961
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide?
The IUPAC name of (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide (CID 95352314) is (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide.
What is the SMILES notation for (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide?
The canonical SMILES for (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide is CC(=O)N[C@H](CC(=O)NCc1ccc(=O)[nH]c1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide?
The InChIKey is AWOJHJOVNWXLND-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-11(22)21-15(13-3-5-14(18)6-4-13)8-17(24)20-10-12-2-7-16(23)19-9-12/h2-7,9,15H,8,10H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t15-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide?
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide has a molecular weight of 347.80 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide is sourced from PubChem (CID 95352314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).