[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone

C16H17FN4O — CID 124698734

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone
SMILESN[C@H]1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1
InChIInChI=1S/C16H17FN4O/c17-11-3-1-4-13(9-11)20-15-14(5-2-7-19-15)16(22)21-8-6-12(18)10-21/h1-5,7,9,12H,6,8,10,18H2,(H,19,20)/t12-/m0/s1
InChIKeyVFXDFFOZCUWNAS-LBPRGKRZSA-N
MW300.34 g/mol
LogP2.14
Rot. Bonds3

About [(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone

[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone (PubChem CID 124698734) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone
PubChem CID124698734
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone
SMILESN[C@H]1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1
InChIInChI=1S/C16H17FN4O/c17-11-3-1-4-13(9-11)20-15-14(5-2-7-19-15)16(22)21-8-6-12(18)10-21/h1-5,7,9,12H,6,8,10,18H2,(H,19,20)/t12-/m0/s1
InChIKeyVFXDFFOZCUWNAS-LBPRGKRZSA-N
XLogP2.14
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125146750
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575323
[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124594605
[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 97077466
[2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone
CID 86833930
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119409230
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 166362766
4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
CID 75422007
[(3S)-3-aminopyrrolidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71643927
(3-aminopyrrolidin-1-yl)-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644269
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
CID 47246328

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone (CID 124698734) is [(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone is N[C@H]1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone?
The InChIKey is VFXDFFOZCUWNAS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-11-3-1-4-13(9-11)20-15-14(5-2-7-19-15)16(22)21-8-6-12(18)10-21/h1-5,7,9,12H,6,8,10,18H2,(H,19,20)/t12-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone?
[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone has a molecular weight of 300.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 124698734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).