2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile

C13H19N3O2 — CID 114765953

IUPAC2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile
SMILESCOCCN(CCOC)c1cc(C#N)cc(C)n1
InChIInChI=1S/C13H19N3O2/c1-11-8-12(10-14)9-13(15-11)16(4-6-17-2)5-7-18-3/h8-9H,4-7H2,1-3H3
InChIKeyDONGTWDNIGBWMH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.36
Rot. Bonds7

About 2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile

2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile (PubChem CID 114765953) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile
PubChem CID114765953
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile
SMILESCOCCN(CCOC)c1cc(C#N)cc(C)n1
InChIInChI=1S/C13H19N3O2/c1-11-8-12(10-14)9-13(15-11)16(4-6-17-2)5-7-18-3/h8-9H,4-7H2,1-3H3
InChIKeyDONGTWDNIGBWMH-UHFFFAOYSA-N
XLogP1.36
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile (CID 114765953) is 2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile is COCCN(CCOC)c1cc(C#N)cc(C)n1.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile?
The InChIKey is DONGTWDNIGBWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-11-8-12(10-14)9-13(15-11)16(4-6-17-2)5-7-18-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile?
2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile has a molecular weight of 249.31 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114765953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).