[(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone

C25H28N4O3 — CID 125020350

IUPAC[(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCCOc1ccc(Cc2cccc([C@@H]3CN(C(=O)c4ccnc(NC)c4)CCO3)n2)cc1
InChIInChI=1S/C25H28N4O3/c1-3-31-21-9-7-18(8-10-21)15-20-5-4-6-22(28-20)23-17-29(13-14-32-23)25(30)19-11-12-27-24(16-19)26-2/h4-12,16,23H,3,13-15,17H2,1-2H3,(H,26,27)/t23-/m0/s1
InChIKeyYCBYAEIFFZQDES-QHCPKHFHSA-N
MW432.52 g/mol
LogP3.72
Rot. Bonds7

About [(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone

[(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone (PubChem CID 125020350) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is [(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
PubChem CID125020350
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name[(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCCOc1ccc(Cc2cccc([C@@H]3CN(C(=O)c4ccnc(NC)c4)CCO3)n2)cc1
InChIInChI=1S/C25H28N4O3/c1-3-31-21-9-7-18(8-10-21)15-20-5-4-6-22(28-20)23-17-29(13-14-32-23)25(30)19-11-12-27-24(16-19)26-2/h4-12,16,23H,3,13-15,17H2,1-2H3,(H,26,27)/t23-/m0/s1
InChIKeyYCBYAEIFFZQDES-QHCPKHFHSA-N
XLogP3.72
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone with MolForge

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Related Compounds

[2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
CID 132779340
[2-(methylamino)-4-pyridinyl]-[(2S)-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]methanone
CID 124958881
[2-(methylamino)-4-pyridinyl]-[(2R)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 125007616
4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one
CID 127250123
[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 56874345
1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 127250033
[3-(methoxymethyl)phenyl]-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124952972
[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 45251144
2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639142
[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone
CID 124970106
2-[(2S)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639143
[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124976913

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of [(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone (CID 125020350) is [(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for [(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone is CCOc1ccc(Cc2cccc([C@@H]3CN(C(=O)c4ccnc(NC)c4)CCO3)n2)cc1.
What is the InChIKey of [(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is YCBYAEIFFZQDES-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-31-21-9-7-18(8-10-21)15-20-5-4-6-22(28-20)23-17-29(13-14-32-23)25(30)19-11-12-27-24(16-19)26-2/h4-12,16,23H,3,13-15,17H2,1-2H3,(H,26,27)/t23-/m0/s1.
What are the key properties of [(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
[(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 432.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 125020350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).