1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone

C18H19N3O3 — CID 109206514

IUPAC1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccnc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H19N3O3/c1-13(22)14-2-4-15(5-3-14)20-16-6-7-19-17(12-16)18(23)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,19,20)
InChIKeyIDOVESQQLYGSOO-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.50
Rot. Bonds4

About 1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone

1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone (PubChem CID 109206514) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
PubChem CID109206514
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccnc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H19N3O3/c1-13(22)14-2-4-15(5-3-14)20-16-6-7-19-17(12-16)18(23)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,19,20)
InChIKeyIDOVESQQLYGSOO-UHFFFAOYSA-N
XLogP2.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109215644
[4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206522
morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109206544
methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]benzoate
CID 109215649
[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206553
methyl 4-[[2-(azepane-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109218594
1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209084
1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109300644
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
1-[4-[4-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209127
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209109

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone (CID 109206514) is 1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2ccnc(C(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone?
The InChIKey is IDOVESQQLYGSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13(22)14-2-4-15(5-3-14)20-16-6-7-19-17(12-16)18(23)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,19,20).
What are the key properties of 1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone?
1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone has a molecular weight of 325.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone is sourced from PubChem (CID 109206514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).