N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C19H23ClN4O2 — CID 109299122

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccnc(N2CCC(C)CC2)n1
InChIInChI=1S/C19H23ClN4O2/c1-12-5-8-24(9-6-12)19-21-7-4-15(23-19)18(25)22-16-10-13(2)14(20)11-17(16)26-3/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,22,25)
InChIKeyCEBSIGYEAIOYLU-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.94
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109299122) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109299122
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccnc(N2CCC(C)CC2)n1
InChIInChI=1S/C19H23ClN4O2/c1-12-5-8-24(9-6-12)19-21-7-4-15(23-19)18(25)22-16-10-13(2)14(20)11-17(16)26-3/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,22,25)
InChIKeyCEBSIGYEAIOYLU-UHFFFAOYSA-N
XLogP3.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152600
N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299068
N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299118
N-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299069
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323043
N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299125
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108793991
N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342307
N-cyclopentyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298035
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(cyclopropylamino)-2-methylpyrimidine-4-carboxamide
CID 109360950
N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302129
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311840

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109299122) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccnc(N2CCC(C)CC2)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is CEBSIGYEAIOYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-12-5-8-24(9-6-12)19-21-7-4-15(23-19)18(25)22-16-10-13(2)14(20)11-17(16)26-3/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,22,25).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109299122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).