5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile

C13H13N5 — CID 103467604

IUPAC5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCN(Cc1cccnc1)c1ncc(C#N)cc1N
InChIInChI=1S/C13H13N5/c1-18(9-10-3-2-4-16-7-10)13-12(15)5-11(6-14)8-17-13/h2-5,7-8H,9,15H2,1H3
InChIKeyTWDFQSFVEZQPAW-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.57
Rot. Bonds3

About 5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile

5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile (PubChem CID 103467604) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
PubChem CID103467604
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCN(Cc1cccnc1)c1ncc(C#N)cc1N
InChIInChI=1S/C13H13N5/c1-18(9-10-3-2-4-16-7-10)13-12(15)5-11(6-14)8-17-13/h2-5,7-8H,9,15H2,1H3
InChIKeyTWDFQSFVEZQPAW-UHFFFAOYSA-N
XLogP1.57
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
CID 66278201
2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 113323849
3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79532611
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile
CID 103509196
6-[benzyl(methyl)amino]-5-methylpyridine-3-carbonitrile
CID 102544753
5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103467234
5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile
CID 103469188
5-amino-6-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 103467700
5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 103468332
5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile
CID 103469180
3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102750389
5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile
CID 103468814

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile (CID 103467604) is 5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile is CN(Cc1cccnc1)c1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile?
The InChIKey is TWDFQSFVEZQPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18(9-10-3-2-4-16-7-10)13-12(15)5-11(6-14)8-17-13/h2-5,7-8H,9,15H2,1H3.
What are the key properties of 5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile?
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 103467604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).