N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide

C21H25N3O2 — CID 109095159

IUPACN-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cccc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C21H25N3O2/c25-20(22-14-8-11-17-9-3-1-4-10-17)18-12-7-13-19(23-18)21(26)24-15-5-2-6-16-24/h1,3-4,7,9-10,12-13H,2,5-6,8,11,14-16H2,(H,22,25)
InChIKeyFHLJHVXWHFBBLX-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.07
Rot. Bonds6

About N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide

N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109095159) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109095159
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cccc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C21H25N3O2/c25-20(22-14-8-11-17-9-3-1-4-10-17)18-12-7-13-19(23-18)21(26)24-15-5-2-6-16-24/h1,3-4,7,9-10,12-13H,2,5-6,8,11,14-16H2,(H,22,25)
InChIKeyFHLJHVXWHFBBLX-UHFFFAOYSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109096025
6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109099081
N-[2-(4-fluorophenyl)ethyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094790
4-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109089068
2-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052025
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068073
N-(2-methylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094386
N-(2-morpholin-4-ylethyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095108
N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094778
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide (CID 109095159) is N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide is O=C(NCCCc1ccccc1)c1cccc(C(=O)N2CCCCC2)n1.
What is the InChIKey of N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is FHLJHVXWHFBBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(22-14-8-11-17-9-3-1-4-10-17)18-12-7-13-19(23-18)21(26)24-15-5-2-6-16-24/h1,3-4,7,9-10,12-13H,2,5-6,8,11,14-16H2,(H,22,25).
What are the key properties of N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide?
N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109095159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).