3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile

C12H17N3O — CID 62985541

IUPAC3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile
SMILESCOCCCN(C)Cc1cccnc1C#N
InChIInChI=1S/C12H17N3O/c1-15(7-4-8-16-2)10-11-5-3-6-14-12(11)9-13/h3,5-6H,4,7-8,10H2,1-2H3
InChIKeyGZJZSDBAJKOFAL-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.42
Rot. Bonds6

About 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile

3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 62985541) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID62985541
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile
SMILESCOCCCN(C)Cc1cccnc1C#N
InChIInChI=1S/C12H17N3O/c1-15(7-4-8-16-2)10-11-5-3-6-14-12(11)9-13/h3,5-6H,4,7-8,10H2,1-2H3
InChIKeyGZJZSDBAJKOFAL-UHFFFAOYSA-N
XLogP1.42
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile (CID 62985541) is 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile is COCCCN(C)Cc1cccnc1C#N.
What is the InChIKey of 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is GZJZSDBAJKOFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(7-4-8-16-2)10-11-5-3-6-14-12(11)9-13/h3,5-6H,4,7-8,10H2,1-2H3.
What are the key properties of 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile?
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62985541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).