4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile

C13H15FN4O2 — CID 105386866

IUPAC4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile
SMILESCCNc1nccc(C(=O)N2CCOC(C#N)C2)c1F
InChIInChI=1S/C13H15FN4O2/c1-2-16-12-11(14)10(3-4-17-12)13(19)18-5-6-20-9(7-15)8-18/h3-4,9H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyFDNVHHMHAXNMTA-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.02
Rot. Bonds3

About 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile

4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile (PubChem CID 105386866) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile
PubChem CID105386866
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile
SMILESCCNc1nccc(C(=O)N2CCOC(C#N)C2)c1F
InChIInChI=1S/C13H15FN4O2/c1-2-16-12-11(14)10(3-4-17-12)13(19)18-5-6-20-9(7-15)8-18/h3-4,9H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyFDNVHHMHAXNMTA-UHFFFAOYSA-N
XLogP1.02
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethylamino)-3-fluoro-4-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 105387219
4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
CID 114924047
[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
(4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105386660
[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
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105387029
(3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105386908
4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
CID 78945652
4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile
CID 78945949

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile (CID 105386866) is 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile is CCNc1nccc(C(=O)N2CCOC(C#N)C2)c1F.
What is the InChIKey of 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile?
The InChIKey is FDNVHHMHAXNMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-2-16-12-11(14)10(3-4-17-12)13(19)18-5-6-20-9(7-15)8-18/h3-4,9H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile?
4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile has a molecular weight of 278.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile is sourced from PubChem (CID 105386866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).