4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide

C12H10N4O3 — CID 81236039

IUPAC4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H10N4O3/c13-11-5-6-14-7-10(11)12(17)15-8-1-3-9(4-2-8)16(18)19/h1-7H,(H2,13,14)(H,15,17)
InChIKeyBXVAVLFCFCICAO-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.82
Rot. Bonds3

About 4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide

4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide (PubChem CID 81236039) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide
PubChem CID81236039
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H10N4O3/c13-11-5-6-14-7-10(11)12(17)15-8-1-3-9(4-2-8)16(18)19/h1-7H,(H2,13,14)(H,15,17)
InChIKeyBXVAVLFCFCICAO-UHFFFAOYSA-N
XLogP1.82
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.82
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

4-amino-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 81235802
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate
CID 110861759
4-amino-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81235962
4-amino-N-naphthalen-2-ylpyridine-3-carboxamide
CID 81240881
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
CID 102977040
4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110862209
N-(4-amino-3-methylphenyl)-4-nitrobenzamide
CID 147874410
2-amino-N-(1,2-benzothiazol-5-yl)-5-nitrobenzamide
CID 99830885
3-amino-N-(4-bromophenyl)pyridine-4-carboxamide
CID 23633070
4-amino-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 81235930
4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107578409

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide (CID 81236039) is 4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide is Nc1ccncc1C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is BXVAVLFCFCICAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c13-11-5-6-14-7-10(11)12(17)15-8-1-3-9(4-2-8)16(18)19/h1-7H,(H2,13,14)(H,15,17).
What are the key properties of 4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide?
4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 81236039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).