N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide

C14H11N3O5 — CID 54243041

IUPACN-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide
SMILESCOc1ccc(C(=O)NC(=O)c2ccnc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H11N3O5/c1-22-11-4-2-9(3-5-11)13(18)16-14(19)10-6-7-15-12(8-10)17(20)21/h2-8H,1H3,(H,16,18,19)
InChIKeyQRIPOKDDRFOXGL-UHFFFAOYSA-N
MW301.26 g/mol
LogP1.57
Rot. Bonds4

About N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide

N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide (PubChem CID 54243041) has the molecular formula C14H11N3O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide
PubChem CID54243041
Molecular FormulaC14H11N3O5
Molecular Weight301.26 g/mol
Exact Mass301.07
IUPAC NameN-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide
SMILESCOc1ccc(C(=O)NC(=O)c2ccnc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H11N3O5/c1-22-11-4-2-9(3-5-11)13(18)16-14(19)10-6-7-15-12(8-10)17(20)21/h2-8H,1H3,(H,16,18,19)
InChIKeyQRIPOKDDRFOXGL-UHFFFAOYSA-N
XLogP1.57
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 51.57
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

N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide
CID 54209246
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
N'-[6-[2-(4-methoxybenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22536013
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
N-methyl-4-[(6-nitro-3-pyridinyl)oxy]benzamide
CID 59686993
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 35835271
N-(4-chlorobenzoyl)-2-ethyl-6-nitropyridine-4-carboxamide
CID 54336800
4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58858348
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 61293421
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 739499

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide?
The IUPAC name of N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide (CID 54243041) is N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide.
What is the SMILES notation for N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide?
The canonical SMILES for N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide is COc1ccc(C(=O)NC(=O)c2ccnc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide?
The InChIKey is QRIPOKDDRFOXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5/c1-22-11-4-2-9(3-5-11)13(18)16-14(19)10-6-7-15-12(8-10)17(20)21/h2-8H,1H3,(H,16,18,19).
What are the key properties of N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide?
N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide has a molecular weight of 301.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide is sourced from PubChem (CID 54243041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).