6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide

C18H19F2N3O2 — CID 129350510

IUPAC6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C18H19F2N3O2/c1-2-21-18(25)12-4-6-17(22-9-12)23-10-13(24)8-16(23)11-3-5-14(19)15(20)7-11/h3-7,9,13,16,24H,2,8,10H2,1H3,(H,21,25)/t13-,16-/m1/s1
InChIKeyZJXAPHNUJFDOJN-CZUORRHYSA-N
MW347.37 g/mol
LogP2.42
Rot. Bonds4

About 6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide

6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide (PubChem CID 129350510) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide
PubChem CID129350510
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C18H19F2N3O2/c1-2-21-18(25)12-4-6-17(22-9-12)23-10-13(24)8-16(23)11-3-5-14(19)15(20)7-11/h3-7,9,13,16,24H,2,8,10H2,1H3,(H,21,25)/t13-,16-/m1/s1
InChIKeyZJXAPHNUJFDOJN-CZUORRHYSA-N
XLogP2.42
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 129481990
6-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 100664303
6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129480751
5-(3,4-difluorophenyl)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-ol
CID 128963877
(3S,5R)-5-(3,4-difluorophenyl)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-ol
CID 100615084
6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 97327728
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 129346697
5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol
CID 128975512
(3R,5R)-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol
CID 129350498
2-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
CID 100684056
N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 133377027
5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 128963738

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide (CID 129350510) is 6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide is CCNC(=O)c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)nc1.
What is the InChIKey of 6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide?
The InChIKey is ZJXAPHNUJFDOJN-CZUORRHYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-2-21-18(25)12-4-6-17(22-9-12)23-10-13(24)8-16(23)11-3-5-14(19)15(20)7-11/h3-7,9,13,16,24H,2,8,10H2,1H3,(H,21,25)/t13-,16-/m1/s1.
What are the key properties of 6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide?
6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 129350510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).