4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile

C20H25N5O2 — CID 143926757

IUPAC4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(NCC2CN(Cc3ccccc3)CCO2)cc(N)c1C#N
InChIInChI=1S/C20H25N5O2/c1-2-26-20-17(11-21)18(22)10-19(24-20)23-12-16-14-25(8-9-27-16)13-15-6-4-3-5-7-15/h3-7,10,16H,2,8-9,12-14H2,1H3,(H3,22,23,24)
InChIKeyHICOVNDJLBXTKT-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.25
Rot. Bonds7

About 4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile

4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile (PubChem CID 143926757) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile
PubChem CID143926757
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(NCC2CN(Cc3ccccc3)CCO2)cc(N)c1C#N
InChIInChI=1S/C20H25N5O2/c1-2-26-20-17(11-21)18(22)10-19(24-20)23-12-16-14-25(8-9-27-16)13-15-6-4-3-5-7-15/h3-7,10,16H,2,8-9,12-14H2,1H3,(H3,22,23,24)
InChIKeyHICOVNDJLBXTKT-UHFFFAOYSA-N
XLogP2.25
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 56810364
N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 11741926
4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile
CID 70924925
4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile
CID 143926886
4-acetyl-2-[(4-benzylmorpholin-2-yl)methylamino]benzonitrile
CID 133465937
N-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-2-cyclopropyl-6-methylpyrimidin-4-amine
CID 126786636
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24640675
4-amino-5-cyano-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 46836252
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide
CID 24546062
3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114399414
(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 84602301

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile (CID 143926757) is 4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile is CCOc1nc(NCC2CN(Cc3ccccc3)CCO2)cc(N)c1C#N.
What is the InChIKey of 4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile?
The InChIKey is HICOVNDJLBXTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-26-20-17(11-21)18(22)10-19(24-20)23-12-16-14-25(8-9-27-16)13-15-6-4-3-5-7-15/h3-7,10,16H,2,8-9,12-14H2,1H3,(H3,22,23,24).
What are the key properties of 4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile?
4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile has a molecular weight of 367.45 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 143926757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).