N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C18H14N6O — CID 109350268

IUPACN-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc(NCc3ccncc3)ncn2)c1
InChIInChI=1S/C18H14N6O/c19-10-14-2-1-3-15(8-14)24-18(25)16-9-17(23-12-22-16)21-11-13-4-6-20-7-5-13/h1-9,12H,11H2,(H,24,25)(H,21,22,23)
InChIKeyLLJOJVPFKRKWJY-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.61
Rot. Bonds5

About N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109350268) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109350268
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC NameN-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc(NCc3ccncc3)ncn2)c1
InChIInChI=1S/C18H14N6O/c19-10-14-2-1-3-15(8-14)24-18(25)16-9-17(23-12-22-16)21-11-13-4-6-20-7-5-13/h1-9,12H,11H2,(H,24,25)(H,21,22,23)
InChIKeyLLJOJVPFKRKWJY-UHFFFAOYSA-N
XLogP2.61
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-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

6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109346612
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
6-(1,3-benzodioxol-5-ylmethylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109349304
6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109353836
N-(3-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344224
N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351078
N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350185
N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347135
6-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109350226
N-(3-cyanophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109353666
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109117831

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109350268) is N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is N#Cc1cccc(NC(=O)c2cc(NCc3ccncc3)ncn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is LLJOJVPFKRKWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c19-10-14-2-1-3-15(8-14)24-18(25)16-9-17(23-12-22-16)21-11-13-4-6-20-7-5-13/h1-9,12H,11H2,(H,24,25)(H,21,22,23).
What are the key properties of N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).