N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide

C15H15N3O4 — CID 19224349

IUPACN-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(C)cc(C)n1
InChIInChI=1S/C15H15N3O4/c1-9-6-10(2)16-13(7-9)15(19)17-12-5-4-11(18(20)21)8-14(12)22-3/h4-8H,1-3H3,(H,17,19)
InChIKeyBICBSERQKPROBU-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.87
Rot. Bonds4

About N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide

N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide (PubChem CID 19224349) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide
PubChem CID19224349
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(C)cc(C)n1
InChIInChI=1S/C15H15N3O4/c1-9-6-10(2)16-13(7-9)15(19)17-12-5-4-11(18(20)21)8-14(12)22-3/h4-8H,1-3H3,(H,17,19)
InChIKeyBICBSERQKPROBU-UHFFFAOYSA-N
XLogP2.87
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.87
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

2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513035
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
1-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide
CID 19276183
N-(2-methoxy-4-nitrophenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705761
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2915297
2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine
CID 2883569
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028
ethyl 3-[(2-methoxy-4-nitrophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19267039
N-[4-[4-[(2,4-dinitrobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-2,4-dinitrobenzamide
CID 3643668
6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
CID 107260793

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide (CID 19224349) is N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(C)cc(C)n1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide?
The InChIKey is BICBSERQKPROBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-9-6-10(2)16-13(7-9)15(19)17-12-5-4-11(18(20)21)8-14(12)22-3/h4-8H,1-3H3,(H,17,19).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide?
N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 19224349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).