N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide

C18H21ClN4O — CID 109257408

IUPACN-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCC1CCCN(c2ncc(C(=O)NCc3ccccc3Cl)cn2)C1
InChIInChI=1S/C18H21ClN4O/c1-13-5-4-8-23(12-13)18-21-10-15(11-22-18)17(24)20-9-14-6-2-3-7-16(14)19/h2-3,6-7,10-11,13H,4-5,8-9,12H2,1H3,(H,20,24)
InChIKeyJBIJVMOOLXSLAF-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.30
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide

N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109257408) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID109257408
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCC1CCCN(c2ncc(C(=O)NCc3ccccc3Cl)cn2)C1
InChIInChI=1S/C18H21ClN4O/c1-13-5-4-8-23(12-13)18-21-10-15(11-22-18)17(24)20-9-14-6-2-3-7-16(14)19/h2-3,6-7,10-11,13H,4-5,8-9,12H2,1H3,(H,20,24)
InChIKeyJBIJVMOOLXSLAF-UHFFFAOYSA-N
XLogP3.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109257604
N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263399
N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108739
2-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256918
N-[(2,4-dichlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 11627381
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136195
N-(4-ethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264445
N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109190182
N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264466
N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109262348
1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 47069872
N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264504

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 109257408) is N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide is CC1CCCN(c2ncc(C(=O)NCc3ccccc3Cl)cn2)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is JBIJVMOOLXSLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-13-5-4-8-23(12-13)18-21-10-15(11-22-18)17(24)20-9-14-6-2-3-7-16(14)19/h2-3,6-7,10-11,13H,4-5,8-9,12H2,1H3,(H,20,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109257408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).