(3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C19H23N5O2 — CID 97134382

IUPAC(3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C19H23N5O2/c1-23(11-16-9-17(22-21-16)13-5-6-13)19(26)14-8-18(25)24(10-14)12-15-4-2-3-7-20-15/h2-4,7,9,13-14H,5-6,8,10-12H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyXSOQUIOZUYPCCN-CQSZACIVSA-N
MW353.43 g/mol
LogP1.69
Rot. Bonds6

About (3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

(3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 97134382) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID97134382
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C19H23N5O2/c1-23(11-16-9-17(22-21-16)13-5-6-13)19(26)14-8-18(25)24(10-14)12-15-4-2-3-7-20-15/h2-4,7,9,13-14H,5-6,8,10-12H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyXSOQUIOZUYPCCN-CQSZACIVSA-N
XLogP1.69
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97191464
(3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97191463
2-methyl-5-[[methyl-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125150247
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45167949
(3S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 51729566
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 146038100
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72935080
(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 25288089
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38497587
(3S)-N-[(1R)-1-cyclopropylethyl]-5-oxo-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95349907
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 97134382) is (3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is CN(Cc1cc(C2CC2)n[nH]1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of (3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is XSOQUIOZUYPCCN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23(11-16-9-17(22-21-16)13-5-6-13)19(26)14-8-18(25)24(10-14)12-15-4-2-3-7-20-15/h2-4,7,9,13-14H,5-6,8,10-12H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
(3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97134382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).