(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone

C12H15FN2O — CID 79036479

IUPAC(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
SMILESCC1CN(C(=O)c2ccnc(F)c2)CC1C
InChIInChI=1S/C12H15FN2O/c1-8-6-15(7-9(8)2)12(16)10-3-4-14-11(13)5-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyYZEVBWMCBCNNED-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.95
Rot. Bonds1

About (3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone

(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone (PubChem CID 79036479) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
PubChem CID79036479
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
SMILESCC1CN(C(=O)c2ccnc(F)c2)CC1C
InChIInChI=1S/C12H15FN2O/c1-8-6-15(7-9(8)2)12(16)10-3-4-14-11(13)5-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyYZEVBWMCBCNNED-UHFFFAOYSA-N
XLogP1.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678232
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115686935
1-(2-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61292738
(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300639
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570308
1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 61292731
N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 113228864
4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 55219534
4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 64680303
(2-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295
[2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 166390626

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone?
The IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone (CID 79036479) is (3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for (3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone?
The canonical SMILES for (3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone is CC1CN(C(=O)c2ccnc(F)c2)CC1C.
What is the InChIKey of (3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone?
The InChIKey is YZEVBWMCBCNNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-6-15(7-9(8)2)12(16)10-3-4-14-11(13)5-10/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of (3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone?
(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone has a molecular weight of 222.26 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 79036479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).