N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide

C15H13N3O5 — CID 54209246

IUPACN-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(=O)c2cnc([N+](=O)[O-])c(C)c2)cc1
InChIInChI=1S/C15H13N3O5/c1-9-7-11(8-16-13(9)18(21)22)15(20)17-14(19)10-3-5-12(23-2)6-4-10/h3-8H,1-2H3,(H,17,19,20)
InChIKeyPUTYEZZUWHUTSM-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.88
Rot. Bonds4

About N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide

N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide (PubChem CID 54209246) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide
PubChem CID54209246
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC NameN-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(=O)c2cnc([N+](=O)[O-])c(C)c2)cc1
InChIInChI=1S/C15H13N3O5/c1-9-7-11(8-16-13(9)18(21)22)15(20)17-14(19)10-3-5-12(23-2)6-4-10/h3-8H,1-2H3,(H,17,19,20)
InChIKeyPUTYEZZUWHUTSM-UHFFFAOYSA-N
XLogP1.88
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide
CID 54251746
N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide
CID 54243041
5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide
CID 54217678
N-[1-(4-methoxyphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 4667639
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 23495471
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
4-methoxy-N-[(3-methyl-2-pyridinyl)carbamoyl]benzamide
CID 888500
N'-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22536493
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
N'-[6-[2-(4-chlorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22535357
4-methoxy-N-[2-nitro-5-(2H-triazol-4-yl)phenyl]benzamide
CID 59736952

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide?
The IUPAC name of N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide (CID 54209246) is N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide is COc1ccc(C(=O)NC(=O)c2cnc([N+](=O)[O-])c(C)c2)cc1.
What is the InChIKey of N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide?
The InChIKey is PUTYEZZUWHUTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-9-7-11(8-16-13(9)18(21)22)15(20)17-14(19)10-3-5-12(23-2)6-4-10/h3-8H,1-2H3,(H,17,19,20).
What are the key properties of N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide?
N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide has a molecular weight of 315.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide is sourced from PubChem (CID 54209246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).