2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

C21H21N5O2 — CID 109309090

IUPAC2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2nccc(C(=O)N(C)CCc3ccncc3)n2)cc1
InChIInChI=1S/C21H21N5O2/c1-15(27)17-3-5-18(6-4-17)24-21-23-13-9-19(25-21)20(28)26(2)14-10-16-7-11-22-12-8-16/h3-9,11-13H,10,14H2,1-2H3,(H,23,24,25)
InChIKeyKNHWMBOHWVNNES-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.13
Rot. Bonds7

About 2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109309090) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109309090
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2nccc(C(=O)N(C)CCc3ccncc3)n2)cc1
InChIInChI=1S/C21H21N5O2/c1-15(27)17-3-5-18(6-4-17)24-21-23-13-9-19(25-21)20(28)26(2)14-10-16-7-11-22-12-8-16/h3-9,11-13H,10,14H2,1-2H3,(H,23,24,25)
InChIKeyKNHWMBOHWVNNES-UHFFFAOYSA-N
XLogP3.13
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309074
2-(1,3-benzodioxol-5-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309098
N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307463
6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351695
6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372363
2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309086
2-[4-(dimethylamino)anilino]-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109331284
2-(furan-2-ylmethylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109303271
2-(dipropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309038
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214711
2-[(2-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109306143
2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109308678

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 109309090) is 2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is CC(=O)c1ccc(Nc2nccc(C(=O)N(C)CCc3ccncc3)n2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is KNHWMBOHWVNNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-15(27)17-3-5-18(6-4-17)24-21-23-13-9-19(25-21)20(28)26(2)14-10-16-7-11-22-12-8-16/h3-9,11-13H,10,14H2,1-2H3,(H,23,24,25).
What are the key properties of 2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109309090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).