N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C18H21ClN4O — CID 109333957

IUPACN-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C18H21ClN4O/c1-12-5-4-8-23(11-12)18-20-13(2)9-16(22-18)17(24)21-15-7-3-6-14(19)10-15/h3,6-7,9-10,12H,4-5,8,11H2,1-2H3,(H,21,24)
InChIKeyYSHKKYFRHZJVLM-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.93
Rot. Bonds3

About N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109333957) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109333957
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C18H21ClN4O/c1-12-5-4-8-23(11-12)18-20-13(2)9-16(22-18)17(24)21-15-7-3-6-14(19)10-15/h3,6-7,9-10,12H,4-5,8,11H2,1-2H3,(H,21,24)
InChIKeyYSHKKYFRHZJVLM-UHFFFAOYSA-N
XLogP3.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334018
6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109333992
6-methyl-2-(3-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319530
N-(2,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334001
N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334012
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322331
6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330253
N-(2-methoxy-5-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109333973
6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109327489
N-(3,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312663
N-(3,4-difluorophenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323095
N-(3-cyanophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321717

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109333957) is N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(Cl)c2)nc(N2CCCC(C)C2)n1.
What is the InChIKey of N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is YSHKKYFRHZJVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-12-5-4-8-23(11-12)18-20-13(2)9-16(22-18)17(24)21-15-7-3-6-14(19)10-15/h3,6-7,9-10,12H,4-5,8,11H2,1-2H3,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109333957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).