(3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide

C20H21N3O2 — CID 97016454

IUPAC(3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)[C@@H]1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C20H21N3O2/c24-19-10-17(13-23(19)12-14-6-7-14)20(25)22-18-9-8-16(11-21-18)15-4-2-1-3-5-15/h1-5,8-9,11,14,17H,6-7,10,12-13H2,(H,21,22,25)/t17-/m1/s1
InChIKeyKUVKKZWTCRBPNU-QGZVFWFLSA-N
MW335.41 g/mol
LogP2.95
Rot. Bonds5

About (3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide

(3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 97016454) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID97016454
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)[C@@H]1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C20H21N3O2/c24-19-10-17(13-23(19)12-14-6-7-14)20(25)22-18-9-8-16(11-21-18)15-4-2-1-3-5-15/h1-5,8-9,11,14,17H,6-7,10,12-13H2,(H,21,22,25)/t17-/m1/s1
InChIKeyKUVKKZWTCRBPNU-QGZVFWFLSA-N
XLogP2.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-cyclopentyl-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 97082967
(3S)-1-cyclopentyl-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 97082968
(3S)-N-(5-bromo-2-pyridinyl)-1-[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 95345085
(3S)-N-(5-bromo-2-pyridinyl)-1-[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 95345083
1-(cyclopropylmethyl)-N-(5-ethyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 47423411
1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 61497970
1-cyano-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 118980507
(2R)-2-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 97185645
1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429828
(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 94092655
(3R)-N-(5-methyl-2-pyridinyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38418060
(3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 94010269

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide (CID 97016454) is (3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2ccccc2)cn1)[C@@H]1CC(=O)N(CC2CC2)C1.
What is the InChIKey of (3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is KUVKKZWTCRBPNU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19-10-17(13-23(19)12-14-6-7-14)20(25)22-18-9-8-16(11-21-18)15-4-2-1-3-5-15/h1-5,8-9,11,14,17H,6-7,10,12-13H2,(H,21,22,25)/t17-/m1/s1.
What are the key properties of (3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide?
(3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97016454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).