4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide

C26H21N3O4 — CID 171904998

IUPAC4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide
SMILESCOc1ccc(-c2c(C(=O)Nc3ccccc3)c(C)nc(-c3ccccc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C26H21N3O4/c1-17-22(26(30)28-20-11-7-4-8-12-20)23(18-13-15-21(33-2)16-14-18)25(29(31)32)24(27-17)19-9-5-3-6-10-19/h3-16H,1-2H3,(H,28,30)
InChIKeyJGEOWGZRHKPHCN-UHFFFAOYSA-N
MW439.47 g/mol
LogP5.89
Rot. Bonds6

About 4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide

4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide (PubChem CID 171904998) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide
PubChem CID171904998
Molecular FormulaC26H21N3O4
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC Name4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide
SMILESCOc1ccc(-c2c(C(=O)Nc3ccccc3)c(C)nc(-c3ccccc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C26H21N3O4/c1-17-22(26(30)28-20-11-7-4-8-12-20)23(18-13-15-21(33-2)16-14-18)25(29(31)32)24(27-17)19-9-5-3-6-10-19/h3-16H,1-2H3,(H,28,30)
InChIKeyJGEOWGZRHKPHCN-UHFFFAOYSA-N
XLogP5.89
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-1,2-dimethyl-5-nitro-N,6-diphenylpyridin-1-ium-3-carboxamide
CID 171905046
2-(4-methoxyphenyl)-3-methyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 3479572
6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 8966053
N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112
2-anilino-N-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 3919463
4,5-bis(4-methoxyphenyl)-N-phenyl-1H-imidazole-2-carboxamide
CID 14100144
1,2-dimethyl-5-nitro-N,4,6-triphenylpyridin-1-ium-3-carboxamide perchlorate
CID 171905028
N-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 70694214
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide
CID 7916016
N-(4-methoxyphenyl)-2-methyl-6-nitrobenzamide
CID 18174615
N-(4-methoxyphenyl)-1-nitro-9,10-dioxoanthracene-2-carboxamide
CID 4917485
(4-methoxyphenyl)-[6-(methylamino)-3-nitro-2,4-diphenylphenyl]methanone
CID 171905001

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide (CID 171904998) is 4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide is COc1ccc(-c2c(C(=O)Nc3ccccc3)c(C)nc(-c3ccccc3)c2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide?
The InChIKey is JGEOWGZRHKPHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4/c1-17-22(26(30)28-20-11-7-4-8-12-20)23(18-13-15-21(33-2)16-14-18)25(29(31)32)24(27-17)19-9-5-3-6-10-19/h3-16H,1-2H3,(H,28,30).
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide?
4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide is sourced from PubChem (CID 171904998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).