[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C12H16FN3O2 — CID 105387211

IUPAC[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCNc1nccc(C(=O)N2CCC(CO)C2)c1F
InChIInChI=1S/C12H16FN3O2/c1-14-11-10(13)9(2-4-15-11)12(18)16-5-3-8(6-16)7-17/h2,4,8,17H,3,5-7H2,1H3,(H,14,15)
InChIKeyFUFSAHDXPZBKDU-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.72
Rot. Bonds3

About [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 105387211) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID105387211
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCNc1nccc(C(=O)N2CCC(CO)C2)c1F
InChIInChI=1S/C12H16FN3O2/c1-14-11-10(13)9(2-4-15-11)12(18)16-5-3-8(6-16)7-17/h2,4,8,17H,3,5-7H2,1H3,(H,14,15)
InChIKeyFUFSAHDXPZBKDU-UHFFFAOYSA-N
XLogP0.72
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228724
[3-fluoro-2-(methylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105384813
(3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 105387751
[3-fluoro-2-(methylamino)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965878
[3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105386748
(2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105387603
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
[2-(ethylamino)-3-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628604
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105384993
[3-fluoro-2-(methylamino)phenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628632
[3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 105386116
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
CID 55065222

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 105387211) is [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is CNc1nccc(C(=O)N2CCC(CO)C2)c1F.
What is the InChIKey of [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is FUFSAHDXPZBKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-14-11-10(13)9(2-4-15-11)12(18)16-5-3-8(6-16)7-17/h2,4,8,17H,3,5-7H2,1H3,(H,14,15).
What are the key properties of [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 253.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 105387211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).