N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

C18H16N4O — CID 109213139

IUPACN-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(NCc2cccnc2)ccn1
InChIInChI=1S/C18H16N4O/c23-18(22-15-6-2-1-3-7-15)17-11-16(8-10-20-17)21-13-14-5-4-9-19-12-14/h1-12H,13H2,(H,20,21)(H,22,23)
InChIKeyZNJYYYXUYNUCKV-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.34
Rot. Bonds5

About N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109213139) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
PubChem CID109213139
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(NCc2cccnc2)ccn1
InChIInChI=1S/C18H16N4O/c23-18(22-15-6-2-1-3-7-15)17-11-16(8-10-20-17)21-13-14-5-4-9-19-12-14/h1-12H,13H2,(H,20,21)(H,22,23)
InChIKeyZNJYYYXUYNUCKV-UHFFFAOYSA-N
XLogP3.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-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

N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213164
N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213194
N-(3-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213141
N-(3-chloro-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213171
N-(4-piperidin-1-ylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213203
4-[(4-chlorophenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109211886
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213214
methyl 4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
CID 66008856
N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213210
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
(4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109213109

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (CID 109213139) is N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is O=C(Nc1ccccc1)c1cc(NCc2cccnc2)ccn1.
What is the InChIKey of N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is ZNJYYYXUYNUCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(22-15-6-2-1-3-7-15)17-11-16(8-10-20-17)21-13-14-5-4-9-19-12-14/h1-12H,13H2,(H,20,21)(H,22,23).
What are the key properties of N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).