N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C19H19N5O — CID 109347642

IUPACN-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(NCc2ccncc2)ncn1)c1ccccc1
InChIInChI=1S/C19H19N5O/c1-14(16-5-3-2-4-6-16)24-19(25)17-11-18(23-13-22-17)21-12-15-7-9-20-10-8-15/h2-11,13-14H,12H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyBRXPAMUUAYOKPL-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.97
Rot. Bonds6

About N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109347642) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109347642
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC NameN-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(NCc2ccncc2)ncn1)c1ccccc1
InChIInChI=1S/C19H19N5O/c1-14(16-5-3-2-4-6-16)24-19(25)17-11-18(23-13-22-17)21-12-15-7-9-20-10-8-15/h2-11,13-14H,12H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyBRXPAMUUAYOKPL-UHFFFAOYSA-N
XLogP2.97
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-phenylethyl)-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-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347632
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109339831
N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338660
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
N-(4-propan-2-ylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350192
N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350185
N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232761
methyl 2-[[6-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109350231
6-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109344421
N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350181
6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369233

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109347642) is N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is CC(NC(=O)c1cc(NCc2ccncc2)ncn1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is BRXPAMUUAYOKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14(16-5-3-2-4-6-16)24-19(25)17-11-18(23-13-22-17)21-12-15-7-9-20-10-8-15/h2-11,13-14H,12H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109347642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).