6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide

C17H14N2O2S — CID 41023450

IUPAC6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(N[C@H](c1ccccc1)c1cccs1)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H14N2O2S/c20-15-9-8-13(11-18-15)17(21)19-16(14-7-4-10-22-14)12-5-2-1-3-6-12/h1-11,16H,(H,18,20)(H,19,21)/t16-/m1/s1
InChIKeyBTIGLTNUGIZOAT-MRXNPFEDSA-N
MW310.38 g/mol
LogP2.96
Rot. Bonds4

About 6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide

6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 41023450) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID41023450
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(N[C@H](c1ccccc1)c1cccs1)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H14N2O2S/c20-15-9-8-13(11-18-15)17(21)19-16(14-7-4-10-22-14)12-5-2-1-3-6-12/h1-11,16H,(H,18,20)(H,19,21)/t16-/m1/s1
InChIKeyBTIGLTNUGIZOAT-MRXNPFEDSA-N
XLogP2.96
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 31981369
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 61381400
6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 95568756
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853563
N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 27885939
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732
4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853824
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate
CID 43021913

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide (CID 41023450) is 6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide is O=C(N[C@H](c1ccccc1)c1cccs1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is BTIGLTNUGIZOAT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-15-9-8-13(11-18-15)17(21)19-16(14-7-4-10-22-14)12-5-2-1-3-6-12/h1-11,16H,(H,18,20)(H,19,21)/t16-/m1/s1.
What are the key properties of 6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 41023450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).