(2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

C19H21F2N3O — CID 94801401

IUPAC(2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESC[C@@H](Cc1c(F)cccc1F)NC(=O)N1CCC[C@H]1c1ccncc1
InChIInChI=1S/C19H21F2N3O/c1-13(12-15-16(20)4-2-5-17(15)21)23-19(25)24-11-3-6-18(24)14-7-9-22-10-8-14/h2,4-5,7-10,13,18H,3,6,11-12H2,1H3,(H,23,25)/t13-,18-/m0/s1
InChIKeyDWWODMUGAQXGQM-UGSOOPFHSA-N
MW345.39 g/mol
LogP3.84
Rot. Bonds4

About (2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

(2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 94801401) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID94801401
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name(2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESC[C@@H](Cc1c(F)cccc1F)NC(=O)N1CCC[C@H]1c1ccncc1
InChIInChI=1S/C19H21F2N3O/c1-13(12-15-16(20)4-2-5-17(15)21)23-19(25)24-11-3-6-18(24)14-7-9-22-10-8-14/h2,4-5,7-10,13,18H,3,6,11-12H2,1H3,(H,23,25)/t13-,18-/m0/s1
InChIKeyDWWODMUGAQXGQM-UGSOOPFHSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94031024
2-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 132968644
N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60541693
2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 42942672
N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87003054
N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87006691
(2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124872162
(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenylpyrrolidine-1-carboxamide
CID 96554428
1-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 154814615
(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 51694827
N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 111456100
(2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94102282

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 94801401) is (2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is C[C@@H](Cc1c(F)cccc1F)NC(=O)N1CCC[C@H]1c1ccncc1.
What is the InChIKey of (2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is DWWODMUGAQXGQM-UGSOOPFHSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-13(12-15-16(20)4-2-5-17(15)21)23-19(25)24-11-3-6-18(24)14-7-9-22-10-8-14/h2,4-5,7-10,13,18H,3,6,11-12H2,1H3,(H,23,25)/t13-,18-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
(2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94801401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).