6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide

C20H23N3O3 — CID 119152127

IUPAC6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCC(OCCCc3ccccc3)C2)nc1
InChIInChI=1S/C20H23N3O3/c21-19(24)16-8-9-18(22-13-16)20(25)23-11-10-17(14-23)26-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H2,21,24)
InChIKeyZBBRKYOJUJVSHQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.04
Rot. Bonds7

About 6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide

6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 119152127) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide
PubChem CID119152127
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCC(OCCCc3ccccc3)C2)nc1
InChIInChI=1S/C20H23N3O3/c21-19(24)16-8-9-18(22-13-16)20(25)23-11-10-17(14-23)26-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H2,21,24)
InChIKeyZBBRKYOJUJVSHQ-UHFFFAOYSA-N
XLogP2.04
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide
CID 119152144
furan-3-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71976252
furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71860926
2-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977041
4-[[[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020316
(3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 96560292
[4-(difluoromethylsulfonyl)phenyl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 96530094
2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119341905
(1-aminocyclopropyl)-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119815537
2-(methylamino)-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119815560
2-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]acetamide
CID 96558813
(2-methyl-1H-pyrrol-3-yl)-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71860925

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide (CID 119152127) is 6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide is NC(=O)c1ccc(C(=O)N2CCC(OCCCc3ccccc3)C2)nc1.
What is the InChIKey of 6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is ZBBRKYOJUJVSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c21-19(24)16-8-9-18(22-13-16)20(25)23-11-10-17(14-23)26-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H2,21,24).
What are the key properties of 6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide?
6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 119152127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).