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

C17H17FN4O3 — CID 49418096

IUPAC4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2cccnc2Nc2ccccc2F)CCO1
InChIInChI=1S/C17H17FN4O3/c18-12-5-1-2-6-13(12)21-16-11(4-3-7-20-16)17(24)22-8-9-25-14(10-22)15(19)23/h1-7,14H,8-10H2,(H2,19,23)(H,20,21)
InChIKeyKBLLWUVOGBISHB-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.29
Rot. Bonds4

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

4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide (PubChem CID 49418096) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide
PubChem CID49418096
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2cccnc2Nc2ccccc2F)CCO1
InChIInChI=1S/C17H17FN4O3/c18-12-5-1-2-6-13(12)21-16-11(4-3-7-20-16)17(24)22-8-9-25-14(10-22)15(19)23/h1-7,14H,8-10H2,(H2,19,23)(H,20,21)
InChIKeyKBLLWUVOGBISHB-UHFFFAOYSA-N
XLogP1.29
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide
CID 126787902
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119409230
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-1,4-oxazepane-6-carboxylic acid
CID 167791863
[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487525
(2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide
CID 94371242
[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
[4-(2-chlorophenyl)piperazin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 134008458
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542627
1-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112803662
[1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 78836688
4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide
CID 49417398

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide?
The IUPAC name of 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide (CID 49418096) is 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide is NC(=O)C1CN(C(=O)c2cccnc2Nc2ccccc2F)CCO1.
What is the InChIKey of 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide?
The InChIKey is KBLLWUVOGBISHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c18-12-5-1-2-6-13(12)21-16-11(4-3-7-20-16)17(24)22-8-9-25-14(10-22)15(19)23/h1-7,14H,8-10H2,(H2,19,23)(H,20,21).
What are the key properties of 4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide?
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 1.29, 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]morpholine-2-carboxamide is sourced from PubChem (CID 49418096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).