5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile

C13H18N4O — CID 61431773

IUPAC5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCN(CC1CCCCO1)c1ncc(N)cc1C#N
InChIInChI=1S/C13H18N4O/c1-17(9-12-4-2-3-5-18-12)13-10(7-14)6-11(15)8-16-13/h6,8,12H,2-5,9,15H2,1H3
InChIKeyZHCCTXLNLXDLPK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.54
Rot. Bonds3

About 5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile

5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile (PubChem CID 61431773) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
PubChem CID61431773
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCN(CC1CCCCO1)c1ncc(N)cc1C#N
InChIInChI=1S/C13H18N4O/c1-17(9-12-4-2-3-5-18-12)13-10(7-14)6-11(15)8-16-13/h6,8,12H,2-5,9,15H2,1H3
InChIKeyZHCCTXLNLXDLPK-UHFFFAOYSA-N
XLogP1.54
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile (CID 61431773) is 5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile is CN(CC1CCCCO1)c1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile?
The InChIKey is ZHCCTXLNLXDLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17(9-12-4-2-3-5-18-12)13-10(7-14)6-11(15)8-16-13/h6,8,12H,2-5,9,15H2,1H3.
What are the key properties of 5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile?
5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 61431773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).