5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide

C17H13N5O3 — CID 157044268

IUPAC5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C17H13N5O3/c23-17(16-6-5-15(11-19-16)22(24)25)21-13-3-1-12(2-4-13)20-14-7-9-18-10-8-14/h1-11H,(H,18,20)(H,21,23)
InChIKeyUQNKKVCJPMFYSB-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.38
Rot. Bonds5

About 5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide

5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide (PubChem CID 157044268) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is 5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
PubChem CID157044268
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C17H13N5O3/c23-17(16-6-5-15(11-19-16)22(24)25)21-13-3-1-12(2-4-13)20-14-7-9-18-10-8-14/h1-11H,(H,18,20)(H,21,23)
InChIKeyUQNKKVCJPMFYSB-UHFFFAOYSA-N
XLogP3.38
TPSA110.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
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'}

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Related Compounds

5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 104640079
N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide
CID 59458006
4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 59458005
N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine
CID 137376791
4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide
CID 81236039
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide
CID 177046941
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide
CID 70234464
5-nitro-N-propylpyridine-2-carboxamide
CID 21405282
N-benzoyl-5-nitropyridine-2-carboxamide
CID 21405378
5-(methylamino)-N-pyridin-4-ylpyrazine-2-carboxamide
CID 107374325
N-(3-nitrophenyl)pyrimidine-4-carboxamide
CID 140508331

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide (CID 157044268) is 5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is UQNKKVCJPMFYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c23-17(16-6-5-15(11-19-16)22(24)25)21-13-3-1-12(2-4-13)20-14-7-9-18-10-8-14/h1-11H,(H,18,20)(H,21,23).
What are the key properties of 5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide?
5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 335.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 157044268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).