6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide

C21H21N3O2 — CID 131962645

IUPAC6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(NC(C)c3ccccc3)cc2)c[nH]1
InChIInChI=1S/C21H21N3O2/c1-14-12-20(25)19(13-22-14)21(26)24-18-10-8-17(9-11-18)23-15(2)16-6-4-3-5-7-16/h3-13,15,23H,1-2H3,(H,22,25)(H,24,26)
InChIKeyDRJCSLQAIXISJK-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.11
Rot. Bonds5

About 6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide (PubChem CID 131962645) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide
PubChem CID131962645
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(NC(C)c3ccccc3)cc2)c[nH]1
InChIInChI=1S/C21H21N3O2/c1-14-12-20(25)19(13-22-14)21(26)24-18-10-8-17(9-11-18)23-15(2)16-6-4-3-5-7-16/h3-13,15,23H,1-2H3,(H,22,25)(H,24,26)
InChIKeyDRJCSLQAIXISJK-UHFFFAOYSA-N
XLogP4.11
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 110856546
6-methyl-4-oxo-N-[(1S)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 103718004
2,5-dimethyl-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986155
N-(3-fluoro-4-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696188
2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986151
N-(2-amino-2-phenylethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806521
N-(2-fluorophenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 110858598
N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369187
7,7-dimethyl-2,5-dioxo-N-[4-(1-phenylethylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565069
2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide
CID 124607211
6-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 110860870
6-methyl-4-oxo-N-(2-propan-2-yloxy-4-pyridinyl)-1H-pyridine-3-carboxamide
CID 138052747

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide (CID 131962645) is 6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccc(NC(C)c3ccccc3)cc2)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is DRJCSLQAIXISJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-12-20(25)19(13-22-14)21(26)24-18-10-8-17(9-11-18)23-15(2)16-6-4-3-5-7-16/h3-13,15,23H,1-2H3,(H,22,25)(H,24,26).
What are the key properties of 6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 131962645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).