N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide

C20H23N3O2 — CID 109080564

IUPACN-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C20H23N3O2/c24-19(22-11-6-9-16-7-2-1-3-8-16)17-10-12-21-18(15-17)20(25)23-13-4-5-14-23/h1-3,7-8,10,12,15H,4-6,9,11,13-14H2,(H,22,24)
InChIKeyYCOOHVOOHVBCDY-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.68
Rot. Bonds6

About N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide

N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109080564) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109080564
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C20H23N3O2/c24-19(22-11-6-9-16-7-2-1-3-8-16)17-10-12-21-18(15-17)20(25)23-13-4-5-14-23/h1-3,7-8,10,12,15H,4-6,9,11,13-14H2,(H,22,24)
InChIKeyYCOOHVOOHVBCDY-UHFFFAOYSA-N
XLogP2.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.68
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

2-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026
4-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109089068
N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080517
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052025
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089033
4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084664
N-(3-methoxypropyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081193
4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084444
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109079626
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027
2-[4-(4-phenylbutanoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055521
N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095159

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide (CID 109080564) is N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide is O=C(NCCCc1ccccc1)c1ccnc(C(=O)N2CCCC2)c1.
What is the InChIKey of N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is YCOOHVOOHVBCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(22-11-6-9-16-7-2-1-3-8-16)17-10-12-21-18(15-17)20(25)23-13-4-5-14-23/h1-3,7-8,10,12,15H,4-6,9,11,13-14H2,(H,22,24).
What are the key properties of N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109080564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).