1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide

C24H25N3O2 — CID 45206101

IUPAC1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN1CCc1ccccc1
InChIInChI=1S/C24H25N3O2/c28-24(22-12-7-16-27(22)17-14-19-8-2-1-3-9-19)26-21-11-4-5-13-23(21)29-20-10-6-15-25-18-20/h1-6,8-11,13,15,18,22H,7,12,14,16-17H2,(H,26,28)
InChIKeyLNIQBTLRDWUHSH-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.52
Rot. Bonds7

About 1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide

1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 45206101) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
PubChem CID45206101
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN1CCc1ccccc1
InChIInChI=1S/C24H25N3O2/c28-24(22-12-7-16-27(22)17-14-19-8-2-1-3-9-19)26-21-11-4-5-13-23(21)29-20-10-6-15-25-18-20/h1-6,8-11,13,15,18,22H,7,12,14,16-17H2,(H,26,28)
InChIKeyLNIQBTLRDWUHSH-UHFFFAOYSA-N
XLogP4.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 42516215
1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45218060
(2R)-1-methyl-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 51904119
(3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 42199128
1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45233342
1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45171721
(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 42197948
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45236373
(2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 26408124
(2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 26403384
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25289271
(3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25275507

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (CID 45206101) is 1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1Oc1cccnc1)C1CCCN1CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is LNIQBTLRDWUHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(22-12-7-16-27(22)17-14-19-8-2-1-3-9-19)26-21-11-4-5-13-23(21)29-20-10-6-15-25-18-20/h1-6,8-11,13,15,18,22H,7,12,14,16-17H2,(H,26,28).
What are the key properties of 1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45206101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).