N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide

C20H22ClN3O2 — CID 109081130

IUPACN-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(C(=O)N3CCCCC3)ccn2)c(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c1-13-10-14(2)18(16(21)11-13)23-19(25)17-12-15(6-7-22-17)20(26)24-8-4-3-5-9-24/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,25)
InChIKeyYMTPOFVYCLLPLT-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.23
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109081130) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109081130
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(C(=O)N3CCCCC3)ccn2)c(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c1-13-10-14(2)18(16(21)11-13)23-19(25)17-12-15(6-7-22-17)20(26)24-8-4-3-5-9-24/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,25)
InChIKeyYMTPOFVYCLLPLT-UHFFFAOYSA-N
XLogP4.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109081281
4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109090713
N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081176
5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide
CID 109107702
4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 109090661
N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080395
N-(2,6-difluorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081186
N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080420
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109056693
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092978

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide (CID 109081130) is N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide is Cc1cc(C)c(NC(=O)c2cc(C(=O)N3CCCCC3)ccn2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is YMTPOFVYCLLPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-13-10-14(2)18(16(21)11-13)23-19(25)17-12-15(6-7-22-17)20(26)24-8-4-3-5-9-24/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109081130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).