N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide

C14H9N5O — CID 63724359

IUPACN-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(N)cc2C#N)nc1
InChIInChI=1S/C14H9N5O/c15-6-9-1-3-13(18-8-9)14(20)19-12-4-2-11(17)5-10(12)7-16/h1-5,8H,17H2,(H,19,20)
InChIKeyUQSKEHCDDOJJFE-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.66
Rot. Bonds2

About N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide

N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide (PubChem CID 63724359) has the molecular formula C14H9N5O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide
PubChem CID63724359
Molecular FormulaC14H9N5O
Molecular Weight263.26 g/mol
Exact Mass263.08
IUPAC NameN-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(N)cc2C#N)nc1
InChIInChI=1S/C14H9N5O/c15-6-9-1-3-13(18-8-9)14(20)19-12-4-2-11(17)5-10(12)7-16/h1-5,8H,17H2,(H,19,20)
InChIKeyUQSKEHCDDOJJFE-UHFFFAOYSA-N
XLogP1.66
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
CID 63725037
N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
CID 113439096
N-(2-amino-5-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63722654
N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 63719479
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
5-amino-N-(4-bromo-2-cyanophenyl)pyrazine-2-carboxamide
CID 107376526
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
6-amino-N-(2-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 107810194
N-(4-carbamoylphenyl)-5-cyanopyridine-2-carboxamide
CID 63718017

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide (CID 63724359) is N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2ccc(N)cc2C#N)nc1.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide?
The InChIKey is UQSKEHCDDOJJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O/c15-6-9-1-3-13(18-8-9)14(20)19-12-4-2-11(17)5-10(12)7-16/h1-5,8H,17H2,(H,19,20).
What are the key properties of N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide?
N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 63724359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).