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

C19H19N5O — CID 109307652

IUPAC2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)NCc2ccncc2)n1
InChIInChI=1S/C19H19N5O/c1-2-15-5-3-4-6-16(15)23-19-21-12-9-17(24-19)18(25)22-13-14-7-10-20-11-8-14/h3-12H,2,13H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyZHPFINRUVJBTBM-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.11
Rot. Bonds6

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

2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109307652) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109307652
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)NCc2ccncc2)n1
InChIInChI=1S/C19H19N5O/c1-2-15-5-3-4-6-16(15)23-19-21-12-9-17(24-19)18(25)22-13-14-7-10-20-11-8-14/h3-12H,2,13H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyZHPFINRUVJBTBM-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-(2-ethylanilino)-N-(pyridin-4-ylmethyl)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

2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307651
2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311044
N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315564
2-(3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307649
4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087638
2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305702
2-(4-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307662
N-[(2-methoxyphenyl)methyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109306237
2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306487
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307676

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 109307652) is 2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is CCc1ccccc1Nc1nccc(C(=O)NCc2ccncc2)n1.
What is the InChIKey of 2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is ZHPFINRUVJBTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-15-5-3-4-6-16(15)23-19-21-12-9-17(24-19)18(25)22-13-14-7-10-20-11-8-14/h3-12H,2,13H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-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-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).