[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone

C14H21FN4O — CID 105383957

IUPAC[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCCNc1nccc(C(=O)N2CCCN(C)CC2)c1F
InChIInChI=1S/C14H21FN4O/c1-3-16-13-12(15)11(5-6-17-13)14(20)19-8-4-7-18(2)9-10-19/h5-6H,3-4,7-10H2,1-2H3,(H,16,17)
InChIKeyMKODVMCXWXEAJR-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.43
Rot. Bonds3

About [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone

[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 105383957) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID105383957
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCCNc1nccc(C(=O)N2CCCN(C)CC2)c1F
InChIInChI=1S/C14H21FN4O/c1-3-16-13-12(15)11(5-6-17-13)14(20)19-8-4-7-18(2)9-10-19/h5-6H,3-4,7-10H2,1-2H3,(H,16,17)
InChIKeyMKODVMCXWXEAJR-UHFFFAOYSA-N
XLogP1.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105384991
[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62187064
(4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105386660
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 105385344
(3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105386908
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837597
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105384386
4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one
CID 105384621
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 105387219
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(4-propylpiperazin-1-yl)methanone
CID 105387852
(2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105385102
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 105384744

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 105383957) is [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone is CCNc1nccc(C(=O)N2CCCN(C)CC2)c1F.
What is the InChIKey of [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is MKODVMCXWXEAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-3-16-13-12(15)11(5-6-17-13)14(20)19-8-4-7-18(2)9-10-19/h5-6H,3-4,7-10H2,1-2H3,(H,16,17).
What are the key properties of [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 280.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 105383957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).