6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

C21H21N5O2 — CID 109351695

IUPAC6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2cc(C(=O)N(C)CCc3ccncc3)ncn2)cc1
InChIInChI=1S/C21H21N5O2/c1-15(27)17-3-5-18(6-4-17)25-20-13-19(23-14-24-20)21(28)26(2)12-9-16-7-10-22-11-8-16/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,23,24,25)
InChIKeyWOIMZXQLSNPOKZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.13
Rot. Bonds7

About 6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109351695) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109351695
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2cc(C(=O)N(C)CCc3ccncc3)ncn2)cc1
InChIInChI=1S/C21H21N5O2/c1-15(27)17-3-5-18(6-4-17)25-20-13-19(23-14-24-20)21(28)26(2)12-9-16-7-10-22-11-8-16/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,23,24,25)
InChIKeyWOIMZXQLSNPOKZ-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

6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372363
N-methyl-N-(2-pyridin-4-ylethyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109351665
2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309090
6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109340614
6-(2-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351686
6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109343138
2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173135
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214711
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354756
1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665
6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351161

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 109351695) is 6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is CC(=O)c1ccc(Nc2cc(C(=O)N(C)CCc3ccncc3)ncn2)cc1.
What is the InChIKey of 6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is WOIMZXQLSNPOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-15(27)17-3-5-18(6-4-17)25-20-13-19(23-14-24-20)21(28)26(2)12-9-16-7-10-22-11-8-16/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,23,24,25).
What are the key properties of 6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
6-(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 6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109351695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).