2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile

C14H13N3 — CID 650363

IUPAC2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2ccccc2)c1C
InChIInChI=1S/C14H13N3/c1-9-10(2)17-14(16)12(8-15)13(9)11-6-4-3-5-7-11/h3-7H,1-2H3,(H2,16,17)
InChIKeyXLLWVRJCMPYGFW-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.82
Rot. Bonds1

About 2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile

2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile (PubChem CID 650363) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile
PubChem CID650363
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2ccccc2)c1C
InChIInChI=1S/C14H13N3/c1-9-10(2)17-14(16)12(8-15)13(9)11-6-4-3-5-7-11/h3-7H,1-2H3,(H2,16,17)
InChIKeyXLLWVRJCMPYGFW-UHFFFAOYSA-N
XLogP2.82
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile (CID 650363) is 2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile is Cc1nc(N)c(C#N)c(-c2ccccc2)c1C.
What is the InChIKey of 2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile?
The InChIKey is XLLWVRJCMPYGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-9-10(2)17-14(16)12(8-15)13(9)11-6-4-3-5-7-11/h3-7H,1-2H3,(H2,16,17).
What are the key properties of 2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile?
2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethyl-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 650363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).