2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide

C26H31N5O2 — CID 91234911

IUPAC2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide
SMILESNC(=O)CC1CCC(Nc2nc(-c3ccc(N4CCOCC4)cc3)cc3ncccc23)CC1
InChIInChI=1S/C26H31N5O2/c27-25(32)16-18-3-7-20(8-4-18)29-26-22-2-1-11-28-24(22)17-23(30-26)19-5-9-21(10-6-19)31-12-14-33-15-13-31/h1-2,5-6,9-11,17-18,20H,3-4,7-8,12-16H2,(H2,27,32)(H,29,30)
InChIKeyFXKDQCINEBOSQB-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.98
Rot. Bonds6

About 2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide

2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide (PubChem CID 91234911) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide
PubChem CID91234911
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide
SMILESNC(=O)CC1CCC(Nc2nc(-c3ccc(N4CCOCC4)cc3)cc3ncccc23)CC1
InChIInChI=1S/C26H31N5O2/c27-25(32)16-18-3-7-20(8-4-18)29-26-22-2-1-11-28-24(22)17-23(30-26)19-5-9-21(10-6-19)31-12-14-33-15-13-31/h1-2,5-6,9-11,17-18,20H,3-4,7-8,12-16H2,(H2,27,32)(H,29,30)
InChIKeyFXKDQCINEBOSQB-UHFFFAOYSA-N
XLogP3.98
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

N-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide
CID 67353594
2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide
CID 58398133
2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide
CID 160644132
4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane
CID 143936489
5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol
CID 142261651
4-[4-(1,6-naphthyridin-7-yl)phenyl]morpholine
CID 91552475
tert-butyl 3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate
CID 71113692
2-cyclopropyl-1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]ethanone
CID 157060692
(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid
CID 71113836
1-[(2R)-2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone
CID 71113527
2-fluoro-2-methyl-1-[(2R)-2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]propan-1-one
CID 71113795
2-fluoro-2-methyl-1-[2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]propan-1-one
CID 78012344

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide?
The IUPAC name of 2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide (CID 91234911) is 2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for 2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide is NC(=O)CC1CCC(Nc2nc(-c3ccc(N4CCOCC4)cc3)cc3ncccc23)CC1.
What is the InChIKey of 2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide?
The InChIKey is FXKDQCINEBOSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c27-25(32)16-18-3-7-20(8-4-18)29-26-22-2-1-11-28-24(22)17-23(30-26)19-5-9-21(10-6-19)31-12-14-33-15-13-31/h1-2,5-6,9-11,17-18,20H,3-4,7-8,12-16H2,(H2,27,32)(H,29,30).
What are the key properties of 2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide?
2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide has a molecular weight of 445.57 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 91234911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).