[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride

C16H19Cl2FN4O — CID 119409230

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(C(=O)c2cccnc2Nc2ccccc2F)C1
InChIInChI=1S/C16H17FN4O.2ClH/c17-13-5-1-2-6-14(13)20-15-12(4-3-8-19-15)16(22)21-9-7-11(18)10-21;;/h1-6,8,11H,7,9-10,18H2,(H,19,20);2*1H/t11-;;/m1../s1
InChIKeyVUFHKALOHCULOQ-NVJADKKVSA-N
MW373.26 g/mol
LogP2.98
Rot. Bonds3

About [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride (PubChem CID 119409230) has the molecular formula C16H19Cl2FN4O and a molecular weight of 373.26 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride
PubChem CID119409230
Molecular FormulaC16H19Cl2FN4O
Molecular Weight373.26 g/mol
Exact Mass372.09
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(C(=O)c2cccnc2Nc2ccccc2F)C1
InChIInChI=1S/C16H17FN4O.2ClH/c17-13-5-1-2-6-14(13)20-15-12(4-3-8-19-15)16(22)21-9-7-11(18)10-21;;/h1-6,8,11H,7,9-10,18H2,(H,19,20);2*1H/t11-;;/m1../s1
InChIKeyVUFHKALOHCULOQ-NVJADKKVSA-N
XLogP2.98
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride with MolForge

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Related Compounds

[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542627
[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487525
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 119516715
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide
CID 49418096
[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone
CID 124698734
1-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112803662
[1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 78836688
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 78814549
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-1,4-oxazepane-6-carboxylic acid
CID 167791863
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide
CID 126787902
(3-aminopyrrolidin-1-yl)-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644269
[(3S)-3-aminopyrrolidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71643927

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride (CID 119409230) is [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride is Cl.Cl.N[C@@H]1CCN(C(=O)c2cccnc2Nc2ccccc2F)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride?
The InChIKey is VUFHKALOHCULOQ-NVJADKKVSA-N. The full InChI is InChI=1S/C16H17FN4O.2ClH/c17-13-5-1-2-6-14(13)20-15-12(4-3-8-19-15)16(22)21-9-7-11(18)10-21;;/h1-6,8,11H,7,9-10,18H2,(H,19,20);2*1H/t11-;;/m1../s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride has a molecular weight of 373.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride is sourced from PubChem (CID 119409230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).