2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone

C24H23N3O3 — CID 58585961

IUPAC2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone
SMILESCc1cccc(CC(=O)c2ccnc(-c3ccc(C(=O)N4CCOCC4)cc3)c2)n1
InChIInChI=1S/C24H23N3O3/c1-17-3-2-4-21(26-17)16-23(28)20-9-10-25-22(15-20)18-5-7-19(8-6-18)24(29)27-11-13-30-14-12-27/h2-10,15H,11-14,16H2,1H3
InChIKeyYJVUDPISUPWHNW-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.35
Rot. Bonds5

About 2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone

2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone (PubChem CID 58585961) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone
PubChem CID58585961
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone
SMILESCc1cccc(CC(=O)c2ccnc(-c3ccc(C(=O)N4CCOCC4)cc3)c2)n1
InChIInChI=1S/C24H23N3O3/c1-17-3-2-4-21(26-17)16-23(28)20-9-10-25-22(15-20)18-5-7-19(8-6-18)24(29)27-11-13-30-14-12-27/h2-10,15H,11-14,16H2,1H3
InChIKeyYJVUDPISUPWHNW-UHFFFAOYSA-N
XLogP3.35
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 87009815
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
[3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone
CID 56921253
1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea
CID 74247537
morpholin-4-yl-[4-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]phenyl]methanone
CID 159923241
1-(3-bromophenyl)-2-(6-methyl-2-pyridinyl)ethanone
CID 69350663
[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 71187412
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone
CID 68898650
N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide
CID 178034949

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone (CID 58585961) is 2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone is Cc1cccc(CC(=O)c2ccnc(-c3ccc(C(=O)N4CCOCC4)cc3)c2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone?
The InChIKey is YJVUDPISUPWHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-3-2-4-21(26-17)16-23(28)20-9-10-25-22(15-20)18-5-7-19(8-6-18)24(29)27-11-13-30-14-12-27/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone?
2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone has a molecular weight of 401.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone is sourced from PubChem (CID 58585961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).