N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide

C17H18N4O — CID 109225107

IUPACN-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCC(C)CNc1cncc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C17H18N4O/c1-12(2)9-20-16-7-14(10-19-11-16)17(22)21-15-5-3-4-13(6-15)8-18/h3-7,10-12,20H,9H2,1-2H3,(H,21,22)
InChIKeyGSVFBEBCAZHCKN-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.27
Rot. Bonds5

About N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide

N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide (PubChem CID 109225107) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
PubChem CID109225107
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCC(C)CNc1cncc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C17H18N4O/c1-12(2)9-20-16-7-14(10-19-11-16)17(22)21-15-5-3-4-13(6-15)8-18/h3-7,10-12,20H,9H2,1-2H3,(H,21,22)
InChIKeyGSVFBEBCAZHCKN-UHFFFAOYSA-N
XLogP3.27
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109107206
N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235482
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225084
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243485
5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223348
3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108491
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
6-N-(3-cyanophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094562
N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225020

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide (CID 109225107) is N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide is CC(C)CNc1cncc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The InChIKey is GSVFBEBCAZHCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12(2)9-20-16-7-14(10-19-11-16)17(22)21-15-5-3-4-13(6-15)8-18/h3-7,10-12,20H,9H2,1-2H3,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109225107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).