[5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C22H26ClN3O3 — CID 133491923

IUPAC[5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1C1(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)CCC1
InChIInChI=1S/C22H26ClN3O3/c1-28-19-6-3-2-5-17(19)22(7-4-8-22)15-25-20-18(23)13-16(14-24-20)21(27)26-9-11-29-12-10-26/h2-3,5-6,13-14H,4,7-12,15H2,1H3,(H,24,25)
InChIKeyZZOLVGPTYYHZRN-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.75
Rot. Bonds6

About [5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133491923) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is [5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133491923
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name[5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1C1(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)CCC1
InChIInChI=1S/C22H26ClN3O3/c1-28-19-6-3-2-5-17(19)22(7-4-8-22)15-25-20-18(23)13-16(14-24-20)21(27)26-9-11-29-12-10-26/h2-3,5-6,13-14H,4,7-12,15H2,1H3,(H,24,25)
InChIKeyZZOLVGPTYYHZRN-UHFFFAOYSA-N
XLogP3.75
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
[5-chloro-6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273331
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide
CID 133272354
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273306
[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273421
[5-chloro-6-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133399112
N-[2-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]ethyl]-2,2-dimethylpropanamide
CID 133326860
[5-chloro-6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133477163
[5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273334

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133491923) is [5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is COc1ccccc1C1(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)CCC1.
What is the InChIKey of [5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is ZZOLVGPTYYHZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-28-19-6-3-2-5-17(19)22(7-4-8-22)15-25-20-18(23)13-16(14-24-20)21(27)26-9-11-29-12-10-26/h2-3,5-6,13-14H,4,7-12,15H2,1H3,(H,24,25).
What are the key properties of [5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 415.92 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133491923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).