(3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide

C19H23N3O2 — CID 96560292

IUPAC(3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CC[C@H](OCCCc2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c23-19(21-17-9-4-11-20-14-17)22-12-10-18(15-22)24-13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9,11,14,18H,5,8,10,12-13,15H2,(H,21,23)/t18-/m0/s1
InChIKeyGAWYNLKQEREYMR-SFHVURJKSA-N
MW325.41 g/mol
LogP3.34
Rot. Bonds6

About (3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide

(3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide (PubChem CID 96560292) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
PubChem CID96560292
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CC[C@H](OCCCc2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c23-19(21-17-9-4-11-20-14-17)22-12-10-18(15-22)24-13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9,11,14,18H,5,8,10,12-13,15H2,(H,21,23)/t18-/m0/s1
InChIKeyGAWYNLKQEREYMR-SFHVURJKSA-N
XLogP3.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 119105538
2-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977041
2-(methylamino)-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119815560
4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide
CID 119152144
4-[[[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020316
6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide
CID 119152127
furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71860926
[(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 96561473
1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 45179360
(1-aminocyclopropyl)-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119815537
4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one
CID 71801294
2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119341905

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide (CID 96560292) is (3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide is O=C(Nc1cccnc1)N1CC[C@H](OCCCc2ccccc2)C1.
What is the InChIKey of (3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide?
The InChIKey is GAWYNLKQEREYMR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(21-17-9-4-11-20-14-17)22-12-10-18(15-22)24-13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9,11,14,18H,5,8,10,12-13,15H2,(H,21,23)/t18-/m0/s1.
What are the key properties of (3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide?
(3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 96560292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).