N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide

C20H25N3O — CID 109204611

IUPACN-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc(N2CCCCC2)ccn1
InChIInChI=1S/C20H25N3O/c24-20(22-12-7-10-17-8-3-1-4-9-17)19-16-18(11-13-21-19)23-14-5-2-6-15-23/h1,3-4,8-9,11,13,16H,2,5-7,10,12,14-15H2,(H,22,24)
InChIKeyDEGAIVOUGGJSOV-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.43
Rot. Bonds6

About N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide

N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide (PubChem CID 109204611) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide
PubChem CID109204611
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc(N2CCCCC2)ccn1
InChIInChI=1S/C20H25N3O/c24-20(22-12-7-10-17-8-3-1-4-9-17)19-16-18(11-13-21-19)23-14-5-2-6-15-23/h1,3-4,8-9,11,13,16H,2,5-7,10,12,14-15H2,(H,22,24)
InChIKeyDEGAIVOUGGJSOV-UHFFFAOYSA-N
XLogP3.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.43
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

4-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109089068
4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide
CID 109217503
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109215435
N-(3-methoxypropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204551
4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109208875
2-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362757
4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109081406
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide (CID 109204611) is N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide is O=C(NCCCc1ccccc1)c1cc(N2CCCCC2)ccn1.
What is the InChIKey of N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide?
The InChIKey is DEGAIVOUGGJSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(22-12-7-10-17-8-3-1-4-9-17)19-16-18(11-13-21-19)23-14-5-2-6-15-23/h1,3-4,8-9,11,13,16H,2,5-7,10,12,14-15H2,(H,22,24).
What are the key properties of N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide?
N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109204611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).