4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile

C13H19N3O2 — CID 63884216

IUPAC4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile
SMILESCOCCN(CCOC)Cc1ccnc(C#N)c1
InChIInChI=1S/C13H19N3O2/c1-17-7-5-16(6-8-18-2)11-12-3-4-15-13(9-12)10-14/h3-4,9H,5-8,11H2,1-2H3
InChIKeyOOOSZZVANPEBHU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.05
Rot. Bonds8

About 4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile

4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 63884216) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID63884216
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile
SMILESCOCCN(CCOC)Cc1ccnc(C#N)c1
InChIInChI=1S/C13H19N3O2/c1-17-7-5-16(6-8-18-2)11-12-3-4-15-13(9-12)10-14/h3-4,9H,5-8,11H2,1-2H3
InChIKeyOOOSZZVANPEBHU-UHFFFAOYSA-N
XLogP1.05
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-cyano-4-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63880461
methyl 3-[(2-cyano-4-pyridinyl)methyl-ethylamino]propanoate
CID 63881816
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile
CID 104561614
N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 62305635
4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886343
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63884796
4-(3-methoxypropylsulfinylmethyl)pyridine-2-carbonitrile
CID 64689814
4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile
CID 55156482
4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63880764
4-(propoxymethyl)pyridine-2-carbonitrile
CID 63884045
2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
CID 107543844
4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 63885763

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile (CID 63884216) is 4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile is COCCN(CCOC)Cc1ccnc(C#N)c1.
What is the InChIKey of 4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is OOOSZZVANPEBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-17-7-5-16(6-8-18-2)11-12-3-4-15-13(9-12)10-14/h3-4,9H,5-8,11H2,1-2H3.
What are the key properties of 4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile?
4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 249.31 g/mol, XLogP of 1.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63884216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).