4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide

C18H19FN4O3 — CID 126787902

IUPAC4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cccnc2Nc2ccccc2F)CCO1
InChIInChI=1S/C18H19FN4O3/c1-20-17(24)15-11-23(9-10-26-15)18(25)12-5-4-8-21-16(12)22-14-7-3-2-6-13(14)19/h2-8,15H,9-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyKYVRAUKPKRHHTL-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.55
Rot. Bonds4

About 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide

4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide (PubChem CID 126787902) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide
PubChem CID126787902
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cccnc2Nc2ccccc2F)CCO1
InChIInChI=1S/C18H19FN4O3/c1-20-17(24)15-11-23(9-10-26-15)18(25)12-5-4-8-21-16(12)22-14-7-3-2-6-13(14)19/h2-8,15H,9-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyKYVRAUKPKRHHTL-UHFFFAOYSA-N
XLogP1.55
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide
CID 49418096
[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487525
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-1,4-oxazepane-6-carboxylic acid
CID 167791863
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119409230
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542627
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 119516715
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 78814549
1-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112803662
(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62170253
[4-(2-chlorophenyl)piperazin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 134008458
(2R)-N-methyl-4-(pyridine-4-carbonyl)morpholine-2-carboxamide
CID 95839438
[1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 78836688

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide (CID 126787902) is 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide is CNC(=O)C1CN(C(=O)c2cccnc2Nc2ccccc2F)CCO1.
What is the InChIKey of 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is KYVRAUKPKRHHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-20-17(24)15-11-23(9-10-26-15)18(25)12-5-4-8-21-16(12)22-14-7-3-2-6-13(14)19/h2-8,15H,9-11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide?
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 126787902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).