2-(3-nitroanilino)pyridine-3-carboxamide

C12H10N4O3 — CID 901913

IUPAC2-(3-nitroanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O3/c13-11(17)10-5-2-6-14-12(10)15-8-3-1-4-9(7-8)16(18)19/h1-7H,(H2,13,17)(H,14,15)
InChIKeyGZFVXWJVRLWUKL-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.83
Rot. Bonds4

About 2-(3-nitroanilino)pyridine-3-carboxamide

2-(3-nitroanilino)pyridine-3-carboxamide (PubChem CID 901913) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-(3-nitroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-nitroanilino)pyridine-3-carboxamide
PubChem CID901913
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name2-(3-nitroanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O3/c13-11(17)10-5-2-6-14-12(10)15-8-3-1-4-9(7-8)16(18)19/h1-7H,(H2,13,17)(H,14,15)
InChIKeyGZFVXWJVRLWUKL-UHFFFAOYSA-N
XLogP1.83
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.83
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

[2-(3-nitroanilino)-3-pyridinyl]-pyridin-4-ylmethanone
CID 142601709
3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid
CID 43358933
1-(3-chloro-2-pyridinyl)-2-(3-nitrophenyl)hydrazine
CID 141429505
2-methylsulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 926631
5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine
CID 4140408
4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid
CID 107208966
2-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 172773445
3-(3-nitroanilino)propanamide
CID 21238871
tert-butyl 2-[(3-nitrobenzoyl)amino]pyridine-3-carboxylate
CID 172749572
[3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone
CID 22724326
[4-(4-nitrophenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 26199826
4-methoxy-2-(3-nitroanilino)pyridine-3-carbonitrile
CID 1475651

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitroanilino)pyridine-3-carboxamide?
The IUPAC name of 2-(3-nitroanilino)pyridine-3-carboxamide (CID 901913) is 2-(3-nitroanilino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-nitroanilino)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-nitroanilino)pyridine-3-carboxamide is NC(=O)c1cccnc1Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-nitroanilino)pyridine-3-carboxamide?
The InChIKey is GZFVXWJVRLWUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c13-11(17)10-5-2-6-14-12(10)15-8-3-1-4-9(7-8)16(18)19/h1-7H,(H2,13,17)(H,14,15).
What are the key properties of 2-(3-nitroanilino)pyridine-3-carboxamide?
2-(3-nitroanilino)pyridine-3-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 901913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).