N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide

C18H21ClN4O — CID 109322360

IUPACN-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2C)nc(N2CCCCC2)n1
InChIInChI=1S/C18H21ClN4O/c1-12-10-14(19)6-7-15(12)21-17(24)16-11-13(2)20-18(22-16)23-8-4-3-5-9-23/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,21,24)
InChIKeyCCAOYYGYICUBLU-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.99
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109322360) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID109322360
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2C)nc(N2CCCCC2)n1
InChIInChI=1S/C18H21ClN4O/c1-12-10-14(19)6-7-15(12)21-17(24)16-11-13(2)20-18(22-16)23-8-4-3-5-9-23/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,21,24)
InChIKeyCCAOYYGYICUBLU-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334377
2-(azepan-1-yl)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334416
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334378
2-(azepan-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334370
N-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322351
N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165
2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326599
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322331
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335400
N-(2,5-dichlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324340
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322300

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide (CID 109322360) is N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2C)nc(N2CCCCC2)n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is CCAOYYGYICUBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-12-10-14(19)6-7-15(12)21-17(24)16-11-13(2)20-18(22-16)23-8-4-3-5-9-23/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,21,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).