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

C15H22FN3O — CID 105384744

IUPAC[2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCNc1nccc(C(=O)N2CCCCC2CC)c1F
InChIInChI=1S/C15H22FN3O/c1-3-11-7-5-6-10-19(11)15(20)12-8-9-18-14(13(12)16)17-4-2/h8-9,11H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyJFSCHNZRPSWEJB-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.06
Rot. Bonds4

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

[2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 105384744) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is [2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID105384744
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name[2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCNc1nccc(C(=O)N2CCCCC2CC)c1F
InChIInChI=1S/C15H22FN3O/c1-3-11-7-5-6-10-19(11)15(20)12-8-9-18-14(13(12)16)17-4-2/h8-9,11H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyJFSCHNZRPSWEJB-UHFFFAOYSA-N
XLogP3.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone
CID 104691769
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837597
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
[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
[4-(ethylamino)-6-methyl-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 81235968
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 53270959
2-(ethylamino)-3-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 105386049
4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one
CID 105384621

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 105384744) is [2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCNc1nccc(C(=O)N2CCCCC2CC)c1F.
What is the InChIKey of [2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is JFSCHNZRPSWEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-3-11-7-5-6-10-19(11)15(20)12-8-9-18-14(13(12)16)17-4-2/h8-9,11H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of [2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 279.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 105384744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).