6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C19H19N5O — CID 109349758

IUPAC6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)NCc2ccccn2)ncn1
InChIInChI=1S/C19H19N5O/c1-2-14-7-3-4-9-16(14)24-18-11-17(22-13-23-18)19(25)21-12-15-8-5-6-10-20-15/h3-11,13H,2,12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyKHCVLSVWQYQNDR-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.11
Rot. Bonds6

About 6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109349758) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109349758
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)NCc2ccccn2)ncn1
InChIInChI=1S/C19H19N5O/c1-2-14-7-3-4-9-16(14)24-18-11-17(22-13-23-18)19(25)21-12-15-8-5-6-10-20-15/h3-11,13H,2,12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyKHCVLSVWQYQNDR-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

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Related Compounds

6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349759
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120853
6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338538
6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349816
6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109340604
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581
6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354320
N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346632
N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109357249
2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171655
5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282986
methyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109346993

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109349758) is 6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is CCc1ccccc1Nc1cc(C(=O)NCc2ccccn2)ncn1.
What is the InChIKey of 6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is KHCVLSVWQYQNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-14-7-3-4-9-16(14)24-18-11-17(22-13-23-18)19(25)21-12-15-8-5-6-10-20-15/h3-11,13H,2,12H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
6-(2-ethylanilino)-N-(pyridin-2-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 6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109349758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).