5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile

C15H16N4O — CID 61420357

IUPAC5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
SMILESCOc1cccc(CN(C)c2ncc(N)cc2C#N)c1
InChIInChI=1S/C15H16N4O/c1-19(10-11-4-3-5-14(6-11)20-2)15-12(8-16)7-13(17)9-18-15/h3-7,9H,10,17H2,1-2H3
InChIKeyUUBBLXJQOXZRDJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.18
Rot. Bonds4

About 5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile

5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile (PubChem CID 61420357) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
PubChem CID61420357
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
SMILESCOc1cccc(CN(C)c2ncc(N)cc2C#N)c1
InChIInChI=1S/C15H16N4O/c1-19(10-11-4-3-5-14(6-11)20-2)15-12(8-16)7-13(17)9-18-15/h3-7,9H,10,17H2,1-2H3
InChIKeyUUBBLXJQOXZRDJ-UHFFFAOYSA-N
XLogP2.18
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine
CID 105367764
5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 103583219
5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80628764
5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
CID 55134763
5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 55013948
5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide
CID 62983154
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile
CID 60646313
5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 171328588
6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669342
2-bromo-6-[(3-methoxyphenyl)methyl-methylamino]benzonitrile
CID 114880703
5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 62983158

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile (CID 61420357) is 5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile is COc1cccc(CN(C)c2ncc(N)cc2C#N)c1.
What is the InChIKey of 5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile?
The InChIKey is UUBBLXJQOXZRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19(10-11-4-3-5-14(6-11)20-2)15-12(8-16)7-13(17)9-18-15/h3-7,9H,10,17H2,1-2H3.
What are the key properties of 5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile?
5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 61420357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).