[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone

C15H23FN4O — CID 105387029

IUPAC[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
SMILESCCNc1nccc(C(=O)N2CC(C)C(N(C)C)C2)c1F
InChIInChI=1S/C15H23FN4O/c1-5-17-14-13(16)11(6-7-18-14)15(21)20-8-10(2)12(9-20)19(3)4/h6-7,10,12H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyQNTRNGQSXFAZRW-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.67
Rot. Bonds4

About [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone (PubChem CID 105387029) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
PubChem CID105387029
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
SMILESCCNc1nccc(C(=O)N2CC(C)C(N(C)C)C2)c1F
InChIInChI=1S/C15H23FN4O/c1-5-17-14-13(16)11(6-7-18-14)15(21)20-8-10(2)12(9-20)19(3)4/h6-7,10,12H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyQNTRNGQSXFAZRW-UHFFFAOYSA-N
XLogP1.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81464108
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 105387219
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105384991
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 105385344
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837597
(2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105385102
N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385151
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 105383957
4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one
CID 105384621
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 105387018
(3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105386908
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone
CID 105387091

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
The IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone (CID 105387029) is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone.
What is the SMILES notation for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
The canonical SMILES for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone is CCNc1nccc(C(=O)N2CC(C)C(N(C)C)C2)c1F.
What is the InChIKey of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
The InChIKey is QNTRNGQSXFAZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-5-17-14-13(16)11(6-7-18-14)15(21)20-8-10(2)12(9-20)19(3)4/h6-7,10,12H,5,8-9H2,1-4H3,(H,17,18).
What are the key properties of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone has a molecular weight of 294.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone is sourced from PubChem (CID 105387029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).