N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide

C13H10N4O — CID 63725037

IUPACN-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(N)c2)nc1
InChIInChI=1S/C13H10N4O/c14-7-9-4-5-12(16-8-9)13(18)17-11-3-1-2-10(15)6-11/h1-6,8H,15H2,(H,17,18)
InChIKeyVDZAIGLEEKVPFN-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.79
Rot. Bonds2

About N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide

N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide (PubChem CID 63725037) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
PubChem CID63725037
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC NameN-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(N)c2)nc1
InChIInChI=1S/C13H10N4O/c14-7-9-4-5-12(16-8-9)13(18)17-11-3-1-2-10(15)6-11/h1-6,8H,15H2,(H,17,18)
InChIKeyVDZAIGLEEKVPFN-UHFFFAOYSA-N
XLogP1.79
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-cyano-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 63719298
N-(4-carbamoylphenyl)-5-cyanopyridine-2-carboxamide
CID 63718017
N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide
CID 63724359
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 113245238
5-cyano-N-quinolin-3-ylpyridine-2-carboxamide
CID 63719125
5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63716731
N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide
CID 63723338
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide
CID 81316402
N-(2-amino-5-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63722654

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide (CID 63725037) is N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2cccc(N)c2)nc1.
What is the InChIKey of N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide?
The InChIKey is VDZAIGLEEKVPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-7-9-4-5-12(16-8-9)13(18)17-11-3-1-2-10(15)6-11/h1-6,8H,15H2,(H,17,18).
What are the key properties of N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide?
N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 63725037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).