2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one

C24H32N4O4 — CID 110173895

IUPAC2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one
SMILESCOc1cccc(C(CCN2CCOCC2)(C(=O)N2CCCC2)c2cccc(OC)n2)n1
InChIInChI=1S/C24H32N4O4/c1-30-21-9-5-7-19(25-21)24(23(29)28-12-3-4-13-28,11-14-27-15-17-32-18-16-27)20-8-6-10-22(26-20)31-2/h5-10H,3-4,11-18H2,1-2H3
InChIKeyGASGDWDHQFOFTH-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.12
Rot. Bonds8

About 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one

2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 110173895) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID110173895
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one
SMILESCOc1cccc(C(CCN2CCOCC2)(C(=O)N2CCCC2)c2cccc(OC)n2)n1
InChIInChI=1S/C24H32N4O4/c1-30-21-9-5-7-19(25-21)24(23(29)28-12-3-4-13-28,11-14-27-15-17-32-18-16-27)20-8-6-10-22(26-20)31-2/h5-10H,3-4,11-18H2,1-2H3
InChIKeyGASGDWDHQFOFTH-UHFFFAOYSA-N
XLogP2.12
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-ium-4-yl-1-pyrrolidin-1-ylbutan-1-one chloride
CID 110173894
[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
CID 84581420
N-(2-morpholin-4-ylethyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095108
4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride
CID 110173853
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one
CID 122145617
methyl 2-amino-4-(1,4-oxazepan-4-yl)-2-phenylbutanoate
CID 116693847
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
4-[[3-(6-methoxy-2-pyridinyl)phenyl]methyl]morpholine
CID 50962081
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
6-methoxy-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 63589886

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one (CID 110173895) is 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one is COc1cccc(C(CCN2CCOCC2)(C(=O)N2CCCC2)c2cccc(OC)n2)n1.
What is the InChIKey of 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is GASGDWDHQFOFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-30-21-9-5-7-19(25-21)24(23(29)28-12-3-4-13-28,11-14-27-15-17-32-18-16-27)20-8-6-10-22(26-20)31-2/h5-10H,3-4,11-18H2,1-2H3.
What are the key properties of 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one?
2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 440.54 g/mol, XLogP of 2.12, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 110173895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).