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

C22H27N3O2 — CID 109099081

IUPAC6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCC1CCCN(C(=O)c2cccc(C(=O)NCCCc3ccccc3)n2)C1
InChIInChI=1S/C22H27N3O2/c1-17-8-7-15-25(16-17)22(27)20-13-5-12-19(24-20)21(26)23-14-6-11-18-9-3-2-4-10-18/h2-5,9-10,12-13,17H,6-8,11,14-16H2,1H3,(H,23,26)
InChIKeySRAUMOSHWBLQEK-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.32
Rot. Bonds6

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

6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 109099081) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID109099081
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCC1CCCN(C(=O)c2cccc(C(=O)NCCCc3ccccc3)n2)C1
InChIInChI=1S/C22H27N3O2/c1-17-8-7-15-25(16-17)22(27)20-13-5-12-19(24-20)21(26)23-14-6-11-18-9-3-2-4-10-18/h2-5,9-10,12-13,17H,6-8,11,14-16H2,1H3,(H,23,26)
InChIKeySRAUMOSHWBLQEK-UHFFFAOYSA-N
XLogP3.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.32
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

N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095159
3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109055941
N-[2-(dimethylamino)ethyl]-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109096331
6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109096025
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
CID 108965805
(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283932
1-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109070794
N-(3-methoxypropyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095410
N-(2,3-dichlorophenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099767
6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
CID 109096175

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 109099081) is 6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide is CC1CCCN(C(=O)c2cccc(C(=O)NCCCc3ccccc3)n2)C1.
What is the InChIKey of 6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is SRAUMOSHWBLQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-8-7-15-25(16-17)22(27)20-13-5-12-19(24-20)21(26)23-14-6-11-18-9-3-2-4-10-18/h2-5,9-10,12-13,17H,6-8,11,14-16H2,1H3,(H,23,26).
What are the key properties of 6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109099081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).