N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C19H23ClN4O2 — CID 109364195

IUPACN-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(N2CCC(C)CC2)nc(C)n1
InChIInChI=1S/C19H23ClN4O2/c1-12-6-8-24(9-7-12)18-11-16(21-13(2)22-18)19(25)23-15-10-14(20)4-5-17(15)26-3/h4-5,10-12H,6-9H2,1-3H3,(H,23,25)
InChIKeyJQUAMEADDVHWDP-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.94
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109364195) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109364195
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(N2CCC(C)CC2)nc(C)n1
InChIInChI=1S/C19H23ClN4O2/c1-12-6-8-24(9-7-12)18-11-16(21-13(2)22-18)19(25)23-15-10-14(20)4-5-17(15)26-3/h4-5,10-12H,6-9H2,1-3H3,(H,23,25)
InChIKeyJQUAMEADDVHWDP-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-(5-chloro-2-methoxyphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323043
N-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152557
N-(2,4-dimethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364166
N-(2,3-dimethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364171
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362870
N-(3-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364198
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366997
N-(5-chloro-2-methoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910788
N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364243
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365446
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109372889
N-(2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342253

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109364195) is N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(N2CCC(C)CC2)nc(C)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is JQUAMEADDVHWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-12-6-8-24(9-7-12)18-11-16(21-13(2)22-18)19(25)23-15-10-14(20)4-5-17(15)26-3/h4-5,10-12H,6-9H2,1-3H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(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-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109364195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).