2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C20H21N5O2 — CID 109330057

IUPAC2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C)cc(C(=O)NCc3cccnc3)n2)cc1
InChIInChI=1S/C20H21N5O2/c1-3-27-17-8-6-16(7-9-17)24-20-23-14(2)11-18(25-20)19(26)22-13-15-5-4-10-21-12-15/h4-12H,3,13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyIFHZOPZECHVAQR-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.25
Rot. Bonds7

About 2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109330057) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109330057
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C)cc(C(=O)NCc3cccnc3)n2)cc1
InChIInChI=1S/C20H21N5O2/c1-3-27-17-8-6-16(7-9-17)24-20-23-14(2)11-18(25-20)19(26)22-13-15-5-4-10-21-12-15/h4-12H,3,13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyIFHZOPZECHVAQR-UHFFFAOYSA-N
XLogP3.25
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(4-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327296
2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328794
2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330048
2-(2-bromoanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330078
2-(2-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330039
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329883
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
6-methyl-2-[(4-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109327787
2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335167
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
2-(4-chloro-2-methoxy-5-methylanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330092
2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336231

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109330057) is 2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is CCOc1ccc(Nc2nc(C)cc(C(=O)NCc3cccnc3)n2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is IFHZOPZECHVAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-27-17-8-6-16(7-9-17)24-20-23-14(2)11-18(25-20)19(26)22-13-15-5-4-10-21-12-15/h4-12H,3,13H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).