1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide

C21H20N2O3 — CID 110862650

IUPAC1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H20N2O3/c1-14-13-15(2)23(3)21(25)19(14)20(24)22-16-9-11-18(12-10-16)26-17-7-5-4-6-8-17/h4-13H,1-3H3,(H,22,24)
InChIKeyCFBCGVQTPCTITM-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.05
Rot. Bonds4

About 1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide

1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide (PubChem CID 110862650) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide
PubChem CID110862650
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H20N2O3/c1-14-13-15(2)23(3)21(25)19(14)20(24)22-16-9-11-18(12-10-16)26-17-7-5-4-6-8-17/h4-13H,1-3H3,(H,22,24)
InChIKeyCFBCGVQTPCTITM-UHFFFAOYSA-N
XLogP4.05
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110861610
6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 5153426
5-methoxy-1-methyl-4-oxo-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 51054204
5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
CID 155372605
N-(2-cyanophenyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110864709
1,4,6-trimethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860792
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid
CID 139671784
2-amino-6-chloro-5-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 154191475
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide (CID 110862650) is 1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide is Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The InChIKey is CFBCGVQTPCTITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-13-15(2)23(3)21(25)19(14)20(24)22-16-9-11-18(12-10-16)26-17-7-5-4-6-8-17/h4-13H,1-3H3,(H,22,24).
What are the key properties of 1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 110862650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).