[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone

C15H15BrClN3O2S — CID 133273341

IUPAC[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCc2cc(Br)cs2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C15H15BrClN3O2S/c16-11-6-12(23-9-11)8-19-14-13(17)5-10(7-18-14)15(21)20-1-3-22-4-2-20/h5-7,9H,1-4,8H2,(H,18,19)
InChIKeyZTYNXCJTEGXYAK-UHFFFAOYSA-N
MW416.73 g/mol
LogP3.64
Rot. Bonds4

About [6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone

[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133273341) has the molecular formula C15H15BrClN3O2S and a molecular weight of 416.73 g/mol. Its IUPAC name is [6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133273341
Molecular FormulaC15H15BrClN3O2S
Molecular Weight416.73 g/mol
Exact Mass414.98
IUPAC Name[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCc2cc(Br)cs2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C15H15BrClN3O2S/c16-11-6-12(23-9-11)8-19-14-13(17)5-10(7-18-14)15(21)20-1-3-22-4-2-20/h5-7,9H,1-4,8H2,(H,18,19)
InChIKeyZTYNXCJTEGXYAK-UHFFFAOYSA-N
XLogP3.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.73
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273421
[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-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133405667
4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
CID 133273291
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
N-[2-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]ethyl]-2,2-dimethylpropanamide
CID 133326860
[5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273334
3-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-2-hydroxy-N-methylpropanamide
CID 126813265
[5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 126803255

Frequently Asked Questions

What is the IUPAC name of [6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone (CID 133273341) is [6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(NCc2cc(Br)cs2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is ZTYNXCJTEGXYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O2S/c16-11-6-12(23-9-11)8-19-14-13(17)5-10(7-18-14)15(21)20-1-3-22-4-2-20/h5-7,9H,1-4,8H2,(H,18,19).
What are the key properties of [6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 416.73 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133273341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).