4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile

C13H18N4O — CID 660957

IUPAC4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile
SMILESCc1cc(N(C)C)c(C#N)c(N2CCOCC2)n1
InChIInChI=1S/C13H18N4O/c1-10-8-12(16(2)3)11(9-14)13(15-10)17-4-6-18-7-5-17/h8H,4-7H2,1-3H3
InChIKeyMJLFWMQXQFGEIQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.16
Rot. Bonds2

About 4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile

4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile (PubChem CID 660957) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile
PubChem CID660957
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile
SMILESCc1cc(N(C)C)c(C#N)c(N2CCOCC2)n1
InChIInChI=1S/C13H18N4O/c1-10-8-12(16(2)3)11(9-14)13(15-10)17-4-6-18-7-5-17/h8H,4-7H2,1-3H3
InChIKeyMJLFWMQXQFGEIQ-UHFFFAOYSA-N
XLogP1.16
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile (CID 660957) is 4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile is Cc1cc(N(C)C)c(C#N)c(N2CCOCC2)n1.
What is the InChIKey of 4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile?
The InChIKey is MJLFWMQXQFGEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-8-12(16(2)3)11(9-14)13(15-10)17-4-6-18-7-5-17/h8H,4-7H2,1-3H3.
What are the key properties of 4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile?
4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 660957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).