6-[benzyl(methyl)amino]pyridine-3-carbonitrile

C14H13N3 — CID 24690148

IUPAC6-[benzyl(methyl)amino]pyridine-3-carbonitrile
SMILESCN(Cc1ccccc1)c1ccc(C#N)cn1
InChIInChI=1S/C14H13N3/c1-17(11-12-5-3-2-4-6-12)14-8-7-13(9-15)10-16-14/h2-8,10H,11H2,1H3
InChIKeyRXICQGWMKUNRDV-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.59
Rot. Bonds3

About 6-[benzyl(methyl)amino]pyridine-3-carbonitrile

6-[benzyl(methyl)amino]pyridine-3-carbonitrile (PubChem CID 24690148) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]pyridine-3-carbonitrile
PubChem CID24690148
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name6-[benzyl(methyl)amino]pyridine-3-carbonitrile
SMILESCN(Cc1ccccc1)c1ccc(C#N)cn1
InChIInChI=1S/C14H13N3/c1-17(11-12-5-3-2-4-6-12)14-8-7-13(9-15)10-16-14/h2-8,10H,11H2,1H3
InChIKeyRXICQGWMKUNRDV-UHFFFAOYSA-N
XLogP2.59
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 47135740
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 133431107
6-[benzyl(methyl)amino]-5-methylpyridine-3-carbonitrile
CID 102544753
3-[[(5-fluoro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 62968970
5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile
CID 133290964
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile
CID 51301153
6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
CID 61397772
2-[6-[benzyl(methyl)amino]-3-pyridinyl]ethanol
CID 102546707
4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile
CID 71264746
N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
CID 115268044
N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide
CID 126828958

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[benzyl(methyl)amino]pyridine-3-carbonitrile (CID 24690148) is 6-[benzyl(methyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[benzyl(methyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[benzyl(methyl)amino]pyridine-3-carbonitrile is CN(Cc1ccccc1)c1ccc(C#N)cn1.
What is the InChIKey of 6-[benzyl(methyl)amino]pyridine-3-carbonitrile?
The InChIKey is RXICQGWMKUNRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-17(11-12-5-3-2-4-6-12)14-8-7-13(9-15)10-16-14/h2-8,10H,11H2,1H3.
What are the key properties of 6-[benzyl(methyl)amino]pyridine-3-carbonitrile?
6-[benzyl(methyl)amino]pyridine-3-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 24690148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).