5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide

C22H29N3O — CID 109194845

IUPAC5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCCC1CCCCN1c1ccc(C(=O)NCCCc2ccccc2)nc1
InChIInChI=1S/C22H29N3O/c1-2-19-12-6-7-16-25(19)20-13-14-21(24-17-20)22(26)23-15-8-11-18-9-4-3-5-10-18/h3-5,9-10,13-14,17,19H,2,6-8,11-12,15-16H2,1H3,(H,23,26)
InChIKeyHGOJENMBLZNDGI-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.21
Rot. Bonds7

About 5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide

5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 109194845) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID109194845
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCCC1CCCCN1c1ccc(C(=O)NCCCc2ccccc2)nc1
InChIInChI=1S/C22H29N3O/c1-2-19-12-6-7-16-25(19)20-13-14-21(24-17-20)22(26)23-15-8-11-18-9-4-3-5-10-18/h3-5,9-10,13-14,17,19H,2,6-8,11-12,15-16H2,1H3,(H,23,26)
InChIKeyHGOJENMBLZNDGI-UHFFFAOYSA-N
XLogP4.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.21
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

5-(2-ethylpiperidin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109195721
5-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191491
N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide
CID 109189130
5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 104690117
5-(2-ethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
CID 109194957
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196262
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192073
5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109182409
N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196271
5-(2-ethylpiperidin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109196298
5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide
CID 109180700
1-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113030715

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 109194845) is 5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide is CCC1CCCCN1c1ccc(C(=O)NCCCc2ccccc2)nc1.
What is the InChIKey of 5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is HGOJENMBLZNDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-19-12-6-7-16-25(19)20-13-14-21(24-17-20)22(26)23-15-8-11-18-9-4-3-5-10-18/h3-5,9-10,13-14,17,19H,2,6-8,11-12,15-16H2,1H3,(H,23,26).
What are the key properties of 5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109194845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).