1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide

C18H17F2N3O2 — CID 51091421

IUPAC1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(c2cc(F)cc(F)c2)C1)c1cccnc1
InChIInChI=1S/C18H17F2N3O2/c1-11(12-3-2-4-21-9-12)22-18(25)13-5-17(24)23(10-13)16-7-14(19)6-15(20)8-16/h2-4,6-9,11,13H,5,10H2,1H3,(H,22,25)
InChIKeyDTMIDNUNVMACBI-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.59
Rot. Bonds4

About 1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide

1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 51091421) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
PubChem CID51091421
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(c2cc(F)cc(F)c2)C1)c1cccnc1
InChIInChI=1S/C18H17F2N3O2/c1-11(12-3-2-4-21-9-12)22-18(25)13-5-17(24)23(10-13)16-7-14(19)6-15(20)8-16/h2-4,6-9,11,13H,5,10H2,1H3,(H,22,25)
InChIKeyDTMIDNUNVMACBI-UHFFFAOYSA-N
XLogP2.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9392169
1-(3-methylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 45010553
(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 684343
1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81405077
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 112764157
(3S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30805561
1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 166181824
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 46463462
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(1-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 18160481
(3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 51597920

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide (CID 51091421) is 1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide is CC(NC(=O)C1CC(=O)N(c2cc(F)cc(F)c2)C1)c1cccnc1.
What is the InChIKey of 1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is DTMIDNUNVMACBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-11(12-3-2-4-21-9-12)22-18(25)13-5-17(24)23(10-13)16-7-14(19)6-15(20)8-16/h2-4,6-9,11,13H,5,10H2,1H3,(H,22,25).
What are the key properties of 1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide?
1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51091421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).