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

C21H25N3O2 — CID 109081281

IUPAC2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccnc(C(=O)N3CCCCC3)c2)c(C)c1
InChIInChI=1S/C21H25N3O2/c1-14-11-15(2)19(16(3)12-14)23-20(25)17-7-8-22-18(13-17)21(26)24-9-5-4-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,25)
InChIKeyOXOAMNVMANUBLY-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.89
Rot. Bonds3

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

2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide (PubChem CID 109081281) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
PubChem CID109081281
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccnc(C(=O)N3CCCCC3)c2)c(C)c1
InChIInChI=1S/C21H25N3O2/c1-14-11-15(2)19(16(3)12-14)23-20(25)17-7-8-22-18(13-17)21(26)24-9-5-4-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,25)
InChIKeyOXOAMNVMANUBLY-UHFFFAOYSA-N
XLogP3.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081130
3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109056693
2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 109090740
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080597
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109090766
N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081299
2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109090752
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109090742
N-(2-fluorophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081286

Frequently Asked Questions

What is the IUPAC name of 2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide (CID 109081281) is 2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide is Cc1cc(C)c(NC(=O)c2ccnc(C(=O)N3CCCCC3)c2)c(C)c1.
What is the InChIKey of 2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
The InChIKey is OXOAMNVMANUBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-11-15(2)19(16(3)12-14)23-20(25)17-7-8-22-18(13-17)21(26)24-9-5-4-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,25).
What are the key properties of 2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109081281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).