(2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide

C19H26FN3O — CID 124885197

IUPAC(2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)C1=CCN(C)CC1
InChIInChI=1S/C19H26FN3O/c1-14(15-8-11-22(2)12-9-15)21-19(24)23-10-4-7-18(23)16-5-3-6-17(20)13-16/h3,5-6,8,13-14,18H,4,7,9-12H2,1-2H3,(H,21,24)/t14-,18+/m1/s1
InChIKeyGEDHAVKHCJXNON-KDOFPFPSSA-N
MW331.44 g/mol
LogP3.32
Rot. Bonds3

About (2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide

(2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 124885197) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is (2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID124885197
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name(2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)C1=CCN(C)CC1
InChIInChI=1S/C19H26FN3O/c1-14(15-8-11-22(2)12-9-15)21-19(24)23-10-4-7-18(23)16-5-3-6-17(20)13-16/h3,5-6,8,13-14,18H,4,7,9-12H2,1-2H3,(H,21,24)/t14-,18+/m1/s1
InChIKeyGEDHAVKHCJXNON-KDOFPFPSSA-N
XLogP3.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 47382100
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 136578063
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855796
(2R)-2-(3-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrrolidine-1-carbothioamide
CID 97021166
(2S)-2-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrrolidine-1-carbothioamide
CID 97021167
2-(3-fluorophenyl)-N-(1-phenylethyl)pyrrolidine-1-carbothioamide
CID 71890655
(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
2-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide
CID 110900683
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 136512167
methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
CID 87035285

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide (CID 124885197) is (2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide is C[C@@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)C1=CCN(C)CC1.
What is the InChIKey of (2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is GEDHAVKHCJXNON-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-14(15-8-11-22(2)12-9-15)21-19(24)23-10-4-7-18(23)16-5-3-6-17(20)13-16/h3,5-6,8,13-14,18H,4,7,9-12H2,1-2H3,(H,21,24)/t14-,18+/m1/s1.
What are the key properties of (2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide?
(2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorophenyl)-N-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124885197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).