2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile

C16H17N3O2 — CID 11818416

IUPAC2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(Cc2cnc(N)c(C#N)c2C)c1
InChIInChI=1S/C16H17N3O2/c1-10-12(9-19-16(18)14(10)8-17)6-11-7-13(20-2)4-5-15(11)21-3/h4-5,7,9H,6H2,1-3H3,(H2,18,19)
InChIKeyQDKPOISZSHUCHO-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.45
Rot. Bonds4

About 2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile

2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile (PubChem CID 11818416) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile
PubChem CID11818416
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(Cc2cnc(N)c(C#N)c2C)c1
InChIInChI=1S/C16H17N3O2/c1-10-12(9-19-16(18)14(10)8-17)6-11-7-13(20-2)4-5-15(11)21-3/h4-5,7,9H,6H2,1-3H3,(H2,18,19)
InChIKeyQDKPOISZSHUCHO-UHFFFAOYSA-N
XLogP2.45
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile (CID 11818416) is 2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile is COc1ccc(OC)c(Cc2cnc(N)c(C#N)c2C)c1.
What is the InChIKey of 2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile?
The InChIKey is QDKPOISZSHUCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-12(9-19-16(18)14(10)8-17)6-11-7-13(20-2)4-5-15(11)21-3/h4-5,7,9H,6H2,1-3H3,(H2,18,19).
What are the key properties of 2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile?
2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 11818416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).