methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile

C25H31N5O5 — CID 158591232

IUPACmethyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile
SMILESCOC(=O)c1cc(C)nc(N2CCOCC2)c1.Cc1cc(C(=O)CC#N)cc(N2CCOCC2)n1
InChIInChI=1S/C13H15N3O2.C12H16N2O3/c1-10-8-11(12(17)2-3-14)9-13(15-10)16-4-6-18-7-5-16;1-9-7-10(12(15)16-2)8-11(13-9)14-3-5-17-6-4-14/h8-9H,2,4-7H2,1H3;7-8H,3-6H2,1-2H3
InChIKeyHULUVRMFFVBFEU-UHFFFAOYSA-N
MW481.55 g/mol
LogP2.34
Rot. Bonds5

About methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile

methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile (PubChem CID 158591232) has the molecular formula C25H31N5O5 and a molecular weight of 481.55 g/mol. Its IUPAC name is methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile.

Molecular Properties

Compound Namemethyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile
PubChem CID158591232
Molecular FormulaC25H31N5O5
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Namemethyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile
SMILESCOC(=O)c1cc(C)nc(N2CCOCC2)c1.Cc1cc(C(=O)CC#N)cc(N2CCOCC2)n1
InChIInChI=1S/C13H15N3O2.C12H16N2O3/c1-10-8-11(12(17)2-3-14)9-13(15-10)16-4-6-18-7-5-16;1-9-7-10(12(15)16-2)8-11(13-9)14-3-5-17-6-4-14/h8-9H,2,4-7H2,1H3;7-8H,3-6H2,1-2H3
InChIKeyHULUVRMFFVBFEU-UHFFFAOYSA-N
XLogP2.34
TPSA117.88 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112912186
methyl 3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112869947
methyl 3-cyano-4-morpholin-4-ylbenzoate
CID 155293483
3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966844
methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-2-carboxamide
CID 121137175
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
methyl 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylate
CID 68758496
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]cyclopropanecarboxamide
CID 71807461
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile?
The IUPAC name of methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile (CID 158591232) is methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile.
What is the SMILES notation for methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile?
The canonical SMILES for methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile is COC(=O)c1cc(C)nc(N2CCOCC2)c1.Cc1cc(C(=O)CC#N)cc(N2CCOCC2)n1.
What is the InChIKey of methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile?
The InChIKey is HULUVRMFFVBFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2.C12H16N2O3/c1-10-8-11(12(17)2-3-14)9-13(15-10)16-4-6-18-7-5-16;1-9-7-10(12(15)16-2)8-11(13-9)14-3-5-17-6-4-14/h8-9H,2,4-7H2,1H3;7-8H,3-6H2,1-2H3.
What are the key properties of methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile?
methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile has a molecular weight of 481.55 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile is sourced from PubChem (CID 158591232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).