[3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone

C13H18FN3O2 — CID 105386116

IUPAC[3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCCCNc1nccc(C(=O)N2CCC(O)C2)c1F
InChIInChI=1S/C13H18FN3O2/c1-2-5-15-12-11(14)10(3-6-16-12)13(19)17-7-4-9(18)8-17/h3,6,9,18H,2,4-5,7-8H2,1H3,(H,15,16)
InChIKeyASCVTPFCPAUFPV-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.25
Rot. Bonds4

About [3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone

[3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 105386116) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is [3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID105386116
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name[3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCCCNc1nccc(C(=O)N2CCC(O)C2)c1F
InChIInChI=1S/C13H18FN3O2/c1-2-5-15-12-11(14)10(3-6-16-12)13(19)17-7-4-9(18)8-17/h3,6,9,18H,2,4-5,7-8H2,1H3,(H,15,16)
InChIKeyASCVTPFCPAUFPV-UHFFFAOYSA-N
XLogP1.25
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone
CID 105387091
(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 105381176
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 105387219
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 105388111
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837597
[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 105387211
(3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone
CID 81239972
3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105386978
4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one
CID 105384621
[3-fluoro-2-(methylamino)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965878
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 105388188
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 105385344

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of [3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone (CID 105386116) is [3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for [3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone is CCCNc1nccc(C(=O)N2CCC(O)C2)c1F.
What is the InChIKey of [3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is ASCVTPFCPAUFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-5-15-12-11(14)10(3-6-16-12)13(19)17-7-4-9(18)8-17/h3,6,9,18H,2,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of [3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone?
[3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 267.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 105386116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).