N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide

C19H23ClN4O2 — CID 136988379

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2CCCC(c3cc(=O)[nH]c(C)n3)C2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O2/c1-11-7-12(2)18(15(20)8-11)23-19(26)24-6-4-5-14(10-24)16-9-17(25)22-13(3)21-16/h7-9,14H,4-6,10H2,1-3H3,(H,23,26)(H,21,22,25)
InChIKeyFOVOBPCSKOMVIH-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.76
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide (PubChem CID 136988379) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
PubChem CID136988379
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2CCCC(c3cc(=O)[nH]c(C)n3)C2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O2/c1-11-7-12(2)18(15(20)8-11)23-19(26)24-6-4-5-14(10-24)16-9-17(25)22-13(3)21-16/h7-9,14H,4-6,10H2,1-3H3,(H,23,26)(H,21,22,25)
InChIKeyFOVOBPCSKOMVIH-UHFFFAOYSA-N
XLogP3.76
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide (CID 136988379) is N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide is Cc1cc(C)c(NC(=O)N2CCCC(c3cc(=O)[nH]c(C)n3)C2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The InChIKey is FOVOBPCSKOMVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-11-7-12(2)18(15(20)8-11)23-19(26)24-6-4-5-14(10-24)16-9-17(25)22-13(3)21-16/h7-9,14H,4-6,10H2,1-3H3,(H,23,26)(H,21,22,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136988379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).