(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone

C16H15F2N3O — CID 95107427

IUPAC(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CC[C@H](Nc2cccnc2)C1
InChIInChI=1S/C16H15F2N3O/c17-13-4-1-5-14(18)15(13)16(22)21-8-6-12(10-21)20-11-3-2-7-19-9-11/h1-5,7,9,12,20H,6,8,10H2/t12-/m0/s1
InChIKeyNNPOXSGWKCZWHB-LBPRGKRZSA-N
MW303.31 g/mol
LogP2.69
Rot. Bonds3

About (2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone

(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone (PubChem CID 95107427) has the molecular formula C16H15F2N3O and a molecular weight of 303.31 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
PubChem CID95107427
Molecular FormulaC16H15F2N3O
Molecular Weight303.31 g/mol
Exact Mass303.12
IUPAC Name(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CC[C@H](Nc2cccnc2)C1
InChIInChI=1S/C16H15F2N3O/c17-13-4-1-5-14(18)15(13)16(22)21-8-6-12(10-21)20-11-3-2-7-19-9-11/h1-5,7,9,12,20H,6,8,10H2/t12-/m0/s1
InChIKeyNNPOXSGWKCZWHB-LBPRGKRZSA-N
XLogP2.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107441
N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185412
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185419
(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107411
2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107482
2-cyclopentyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107481
(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 95107540
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185393
[3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 154798378
3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 154499566

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone (CID 95107427) is (2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone is O=C(c1c(F)cccc1F)N1CC[C@H](Nc2cccnc2)C1.
What is the InChIKey of (2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The InChIKey is NNPOXSGWKCZWHB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15F2N3O/c17-13-4-1-5-14(18)15(13)16(22)21-8-6-12(10-21)20-11-3-2-7-19-9-11/h1-5,7,9,12,20H,6,8,10H2/t12-/m0/s1.
What are the key properties of (2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone has a molecular weight of 303.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95107427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).