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

C19H19N5O — CID 109349759

IUPAC6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)NCc3ccccn3)ncn2)cc1
InChIInChI=1S/C19H19N5O/c1-2-14-6-8-15(9-7-14)24-18-11-17(22-13-23-18)19(25)21-12-16-5-3-4-10-20-16/h3-11,13H,2,12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyZDDREHLLHQNMFF-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.11
Rot. Bonds6

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

6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109349759) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109349759
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)NCc3ccccn3)ncn2)cc1
InChIInChI=1S/C19H19N5O/c1-2-14-6-8-15(9-7-14)24-18-11-17(22-13-23-18)19(25)21-12-16-5-3-4-10-20-16/h3-11,13H,2,12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyZDDREHLLHQNMFF-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

N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349758
6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444
6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109340604
2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258580
N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346632
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349816
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370894

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109349759) is 6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is CCc1ccc(Nc2cc(C(=O)NCc3ccccn3)ncn2)cc1.
What is the InChIKey of 6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is ZDDREHLLHQNMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-14-6-8-15(9-7-14)24-18-11-17(22-13-23-18)19(25)21-12-16-5-3-4-10-20-16/h3-11,13H,2,12H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
6-(4-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-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109349759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).