2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide

C18H15ClN4O2 — CID 92648857

IUPAC2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCc1ccccn1
InChIInChI=1S/C18H15ClN4O2/c19-14-6-4-12(5-7-14)17-22-10-13(18(25)23-17)9-16(24)21-11-15-3-1-2-8-20-15/h1-8,10H,9,11H2,(H,21,24)(H,22,23,25)
InChIKeyLTAHXXUXRVBMNE-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.34
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 92648857) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID92648857
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCc1ccccn1
InChIInChI=1S/C18H15ClN4O2/c19-14-6-4-12(5-7-14)17-22-10-13(18(25)23-17)9-16(24)21-11-15-3-1-2-8-20-15/h1-8,10H,9,11H2,(H,21,24)(H,22,23,25)
InChIKeyLTAHXXUXRVBMNE-UHFFFAOYSA-N
XLogP2.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 92648849
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 92649000
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 5156979
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 92648916
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 46109251
(E)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 886894
N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947580
3-[3-(4-methylsulfonylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 135859676
1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818142
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 92648857) is 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCc1ccccn1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is LTAHXXUXRVBMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c19-14-6-4-12(5-7-14)17-22-10-13(18(25)23-17)9-16(24)21-11-15-3-1-2-8-20-15/h1-8,10H,9,11H2,(H,21,24)(H,22,23,25).
What are the key properties of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 354.80 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 92648857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).