N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide

C17H25N3O2 — CID 109102896

IUPACN-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-13(2)6-7-19-16(21)14-10-15(12-18-11-14)17(22)20-8-4-3-5-9-20/h10-13H,3-9H2,1-2H3,(H,19,21)
InChIKeySHAWHQLTNQZHON-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.48
Rot. Bonds5

About N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide

N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109102896) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109102896
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-13(2)6-7-19-16(21)14-10-15(12-18-11-14)17(22)20-8-4-3-5-9-20/h10-13H,3-9H2,1-2H3,(H,19,21)
InChIKeySHAWHQLTNQZHON-UHFFFAOYSA-N
XLogP2.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106716
N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106706
5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109107017
5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109106436
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102850
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
N-[(2-fluorophenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102853
N-cycloheptyl-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102544
5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide
CID 109102737
N-cyclohexyl-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102478
1-[4-[5-(piperidine-1-carbonyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109102845

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide (CID 109102896) is N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide is CC(C)CCNC(=O)c1cncc(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is SHAWHQLTNQZHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(2)6-7-19-16(21)14-10-15(12-18-11-14)17(22)20-8-4-3-5-9-20/h10-13H,3-9H2,1-2H3,(H,19,21).
What are the key properties of N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109102896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).