5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile

C16H18N4 — CID 103467234

IUPAC5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile
SMILESCC(C)N(Cc1ccccc1)c1ncc(C#N)cc1N
InChIInChI=1S/C16H18N4/c1-12(2)20(11-13-6-4-3-5-7-13)16-15(18)8-14(9-17)10-19-16/h3-8,10,12H,11,18H2,1-2H3
InChIKeyCNKJZDZGFMARHF-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.95
Rot. Bonds4

About 5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile

5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile (PubChem CID 103467234) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile
PubChem CID103467234
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile
SMILESCC(C)N(Cc1ccccc1)c1ncc(C#N)cc1N
InChIInChI=1S/C16H18N4/c1-12(2)20(11-13-6-4-3-5-7-13)16-15(18)8-14(9-17)10-19-16/h3-8,10,12H,11,18H2,1-2H3
InChIKeyCNKJZDZGFMARHF-UHFFFAOYSA-N
XLogP2.95
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103468013
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604
6-[benzyl(methyl)amino]-5-methylpyridine-3-carbonitrile
CID 102544753
5-amino-6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile
CID 103468022
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 103468799
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774
2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine
CID 115473540
5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile
CID 103469180
6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile
CID 60874951
5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile
CID 103469188
5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 103468332
5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carbonitrile
CID 103468029

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile (CID 103467234) is 5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile is CC(C)N(Cc1ccccc1)c1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile?
The InChIKey is CNKJZDZGFMARHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12(2)20(11-13-6-4-3-5-7-13)16-15(18)8-14(9-17)10-19-16/h3-8,10,12H,11,18H2,1-2H3.
What are the key properties of 5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile?
5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 103467234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).