2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

C19H19N5O — CID 109258580

IUPAC2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)NCc3ccccn3)cn2)cc1
InChIInChI=1S/C19H19N5O/c1-2-14-6-8-16(9-7-14)24-19-22-11-15(12-23-19)18(25)21-13-17-5-3-4-10-20-17/h3-12H,2,13H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyDHYUGWXPTPYZIN-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.11
Rot. Bonds6

About 2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109258580) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109258580
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)NCc3ccccn3)cn2)cc1
InChIInChI=1S/C19H19N5O/c1-2-14-6-8-16(9-7-14)24-19-22-11-15(12-23-19)18(25)21-13-17-5-3-4-10-20-17/h3-12H,2,13H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyDHYUGWXPTPYZIN-UHFFFAOYSA-N
XLogP3.11
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-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

2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258652
2-(1,3-benzodioxol-5-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258640
2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248532
6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349759
2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263653
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292
ethyl 4-[[5-(benzylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109255349
2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258637
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
CID 109255327
N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248078
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (CID 109258580) is 2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is CCc1ccc(Nc2ncc(C(=O)NCc3ccccn3)cn2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is DHYUGWXPTPYZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-14-6-8-16(9-7-14)24-19-22-11-15(12-23-19)18(25)21-13-17-5-3-4-10-20-17/h3-12H,2,13H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).