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

C18H15N3O2 — CID 95568756

IUPAC6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H15N3O2/c22-16-10-9-14(12-20-16)18(23)21-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12,17H,(H,20,22)(H,21,23)/t17-/m0/s1
InChIKeyJSHIMPOFENDDPQ-KRWDZBQOSA-N
MW305.34 g/mol
LogP2.29
Rot. Bonds4

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

6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 95568756) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID95568756
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H15N3O2/c22-16-10-9-14(12-20-16)18(23)21-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12,17H,(H,20,22)(H,21,23)/t17-/m0/s1
InChIKeyJSHIMPOFENDDPQ-KRWDZBQOSA-N
XLogP2.29
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 71144853
6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide
CID 43008369
6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 41023450
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 134025916
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 86851550
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
3-oxo-N-[phenyl(pyridin-2-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide
CID 134021250
3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51939981
3-(carbamoylamino)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78779505

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide (CID 95568756) is 6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide is O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is JSHIMPOFENDDPQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-16-10-9-14(12-20-16)18(23)21-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12,17H,(H,20,22)(H,21,23)/t17-/m0/s1.
What are the key properties of 6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95568756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).