N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C19H23ClN4O3 — CID 109342307

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(N3CCC(C)CC3)ncn2)c(OC)cc1Cl
InChIInChI=1S/C19H23ClN4O3/c1-12-4-6-24(7-5-12)18-10-15(21-11-22-18)19(25)23-14-9-16(26-2)13(20)8-17(14)27-3/h8-12H,4-7H2,1-3H3,(H,23,25)
InChIKeyNLMZPXDVJGTGBZ-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.64
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109342307) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109342307
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(N3CCC(C)CC3)ncn2)c(OC)cc1Cl
InChIInChI=1S/C19H23ClN4O3/c1-12-4-6-24(7-5-12)18-10-15(21-11-22-18)19(25)23-14-9-16(26-2)13(20)8-17(14)27-3/h8-12H,4-7H2,1-3H3,(H,23,25)
InChIKeyNLMZPXDVJGTGBZ-UHFFFAOYSA-N
XLogP3.64
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342253
methyl 4-chloro-3-[[6-(4-methylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109342274
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338836
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152600
N-(4-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342251
N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342239
N-(4-cyanophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342313
N-(4-acetylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342268
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364195
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299122
N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116283
N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342287

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109342307) is N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is COc1cc(NC(=O)c2cc(N3CCC(C)CC3)ncn2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is NLMZPXDVJGTGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-12-4-6-24(7-5-12)18-10-15(21-11-22-18)19(25)23-14-9-16(26-2)13(20)8-17(14)27-3/h8-12H,4-7H2,1-3H3,(H,23,25).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109342307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).