(3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C20H19F2N3O2 — CID 97270111

IUPAC(3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1(c2cc(F)cc(F)c2)CC1)[C@H]1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C20H19F2N3O2/c21-16-8-15(9-17(22)10-16)20(3-4-20)24-19(27)14-7-18(26)25(12-14)11-13-1-5-23-6-2-13/h1-2,5-6,8-10,14H,3-4,7,11-12H2,(H,24,27)/t14-/m0/s1
InChIKeySNUYWXXSEIMFTE-AWEZNQCLSA-N
MW371.39 g/mol
LogP2.51
Rot. Bonds5

About (3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

(3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 97270111) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is (3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID97270111
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name(3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1(c2cc(F)cc(F)c2)CC1)[C@H]1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C20H19F2N3O2/c21-16-8-15(9-17(22)10-16)20(3-4-20)24-19(27)14-7-18(26)25(12-14)11-13-1-5-23-6-2-13/h1-2,5-6,8-10,14H,3-4,7,11-12H2,(H,24,27)/t14-/m0/s1
InChIKeySNUYWXXSEIMFTE-AWEZNQCLSA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74234232
N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74237766
1-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 45032320
N-(3-acetamidophenyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113184138
1-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700427
1-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700078
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72936643
N-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183590
5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113184135
5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 72854717
N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72926887
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 131945376

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 97270111) is (3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is O=C(NC1(c2cc(F)cc(F)c2)CC1)[C@H]1CC(=O)N(Cc2ccncc2)C1.
What is the InChIKey of (3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is SNUYWXXSEIMFTE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-16-8-15(9-17(22)10-16)20(3-4-20)24-19(27)14-7-18(26)25(12-14)11-13-1-5-23-6-2-13/h1-2,5-6,8-10,14H,3-4,7,11-12H2,(H,24,27)/t14-/m0/s1.
What are the key properties of (3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97270111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).