3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide

C19H23N3O2 — CID 121499854

IUPAC3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCCc1ccccn1)N1CCC(Oc2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c23-19(21-13-6-8-16-7-4-5-12-20-16)22-14-11-18(15-22)24-17-9-2-1-3-10-17/h1-5,7,9-10,12,18H,6,8,11,13-15H2,(H,21,23)
InChIKeyWSEBWWGODBVSDS-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.88
Rot. Bonds6

About 3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide

3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide (PubChem CID 121499854) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide
PubChem CID121499854
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCCc1ccccn1)N1CCC(Oc2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c23-19(21-13-6-8-16-7-4-5-12-20-16)22-14-11-18(15-22)24-17-9-2-1-3-10-17/h1-5,7,9-10,12,18H,6,8,11,13-15H2,(H,21,23)
InChIKeyWSEBWWGODBVSDS-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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

N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide
CID 109428079
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea
CID 118775035
3-phenoxy-N-(2-propan-2-ylsulfanylethyl)pyrrolidine-1-carboxamide
CID 122561495
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489
3,5-dimethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 47128142
3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 90638891
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
3-ethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 86999163
3-(5-bromopyrimidin-2-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 126850690
(3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97059507
1-[(3S)-3-phenoxypyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 125158129

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide (CID 121499854) is 3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide is O=C(NCCCc1ccccn1)N1CCC(Oc2ccccc2)C1.
What is the InChIKey of 3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is WSEBWWGODBVSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(21-13-6-8-16-7-4-5-12-20-16)22-14-11-18(15-22)24-17-9-2-1-3-10-17/h1-5,7,9-10,12,18H,6,8,11,13-15H2,(H,21,23).
What are the key properties of 3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide?
3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121499854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).