(2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide

C18H21N3O — CID 58739173

IUPAC(2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCN1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C18H21N3O/c1-13(21-18(22)17-8-4-10-20-17)14-5-2-6-15(11-14)16-7-3-9-19-12-16/h2-3,5-7,9,11-13,17,20H,4,8,10H2,1H3,(H,21,22)/t13-,17+/m0/s1
InChIKeyQICGERAUWTUTSU-SUMWQHHRSA-N
MW295.39 g/mol
LogP2.68
Rot. Bonds4

About (2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide

(2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 58739173) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID58739173
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCN1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C18H21N3O/c1-13(21-18(22)17-8-4-10-20-17)14-5-2-6-15(11-14)16-7-3-9-19-12-16/h2-3,5-7,9,11-13,17,20H,4,8,10H2,1H3,(H,21,22)/t13-,17+/m0/s1
InChIKeyQICGERAUWTUTSU-SUMWQHHRSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119998811
(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81360819
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218
(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119285496
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914374
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
N-[(1R)-1-(3-bromophenyl)ethyl]azepane-2-carboxamide
CID 81375889
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
N-[(1R)-1-(3-chlorophenyl)ethyl]azepane-2-carboxamide
CID 81371968
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 58739173) is (2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide is C[C@H](NC(=O)[C@H]1CCCN1)c1cccc(-c2cccnc2)c1.
What is the InChIKey of (2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is QICGERAUWTUTSU-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(21-18(22)17-8-4-10-20-17)14-5-2-6-15(11-14)16-7-3-9-19-12-16/h2-3,5-7,9,11-13,17,20H,4,8,10H2,1H3,(H,21,22)/t13-,17+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide?
(2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 58739173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).