5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide

C13H12N4O3 — CID 104640079

IUPAC5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)nc1
InChIInChI=1S/C13H12N4O3/c1-14-10-4-7-12(15-8-10)13(18)16-9-2-5-11(6-3-9)17(19)20/h2-8,14H,1H3,(H,16,18)
InChIKeyHUXNQNCBTVVDHH-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.28
Rot. Bonds4

About 5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide

5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide (PubChem CID 104640079) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
PubChem CID104640079
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)nc1
InChIInChI=1S/C13H12N4O3/c1-14-10-4-7-12(15-8-10)13(18)16-9-2-5-11(6-3-9)17(19)20/h2-8,14H,1H3,(H,16,18)
InChIKeyHUXNQNCBTVVDHH-UHFFFAOYSA-N
XLogP2.28
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.28
H-Bond Donors ≤ 52
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

N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641755
5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
CID 157044268
6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 62239792
N-(3,4-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639765
N-(3,5-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639754
N-(4-ethoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639683
N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide
CID 177046941
N',N'-dimethyl-5-(methylamino)pyridine-2-carbohydrazide
CID 104641981
N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide
CID 59458006
N-(3-bromo-5-methylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 107578475
4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide
CID 19475780
N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 107810328

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide (CID 104640079) is 5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide is CNc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)nc1.
What is the InChIKey of 5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is HUXNQNCBTVVDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-14-10-4-7-12(15-8-10)13(18)16-9-2-5-11(6-3-9)17(19)20/h2-8,14H,1H3,(H,16,18).
What are the key properties of 5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide?
5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 104640079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).