5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide

C18H22N2O2 — CID 125491409

IUPAC5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide
SMILESCCc1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)[nH]c1CC
InChIInChI=1S/C18H22N2O2/c1-4-13-11-15(18(22)20-16(13)5-2)17(21)19-12(3)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3,(H,19,21)(H,20,22)/t12-/m1/s1
InChIKeyXQRWMZBJICYHSD-GFCCVEGCSA-N
MW298.39 g/mol
LogP2.99
Rot. Bonds5

About 5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide

5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide (PubChem CID 125491409) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide
PubChem CID125491409
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide
SMILESCCc1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)[nH]c1CC
InChIInChI=1S/C18H22N2O2/c1-4-13-11-15(18(22)20-16(13)5-2)17(21)19-12(3)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3,(H,19,21)(H,20,22)/t12-/m1/s1
InChIKeyXQRWMZBJICYHSD-GFCCVEGCSA-N
XLogP2.99
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 16589971
N-[(1S)-1-cyclopropylethyl]-5,6-diethyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490222
6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide
CID 125490211
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
6-methyl-4-oxo-N-[(1S)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 103718004
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
6-ethyl-N-methyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125490900
2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 167985714
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid
CID 59356747

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide (CID 125491409) is 5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide is CCc1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)[nH]c1CC.
What is the InChIKey of 5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide?
The InChIKey is XQRWMZBJICYHSD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-13-11-15(18(22)20-16(13)5-2)17(21)19-12(3)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3,(H,19,21)(H,20,22)/t12-/m1/s1.
What are the key properties of 5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide?
5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125491409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).