5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile

C10H13N3 — CID 146236364

IUPAC5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile
SMILESCc1cc(C#N)nc(C(C)C)c1N
InChIInChI=1S/C10H13N3/c1-6(2)10-9(12)7(3)4-8(5-11)13-10/h4,6H,12H2,1-3H3
InChIKeyXMYWGOBFHGVZTG-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.97
Rot. Bonds1

About 5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile

5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile (PubChem CID 146236364) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile
PubChem CID146236364
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile
SMILESCc1cc(C#N)nc(C(C)C)c1N
InChIInChI=1S/C10H13N3/c1-6(2)10-9(12)7(3)4-8(5-11)13-10/h4,6H,12H2,1-3H3
InChIKeyXMYWGOBFHGVZTG-UHFFFAOYSA-N
XLogP1.97
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile?
The IUPAC name of 5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile (CID 146236364) is 5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile?
The canonical SMILES for 5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile is Cc1cc(C#N)nc(C(C)C)c1N.
What is the InChIKey of 5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile?
The InChIKey is XMYWGOBFHGVZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-6(2)10-9(12)7(3)4-8(5-11)13-10/h4,6H,12H2,1-3H3.
What are the key properties of 5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile?
5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile has a molecular weight of 175.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile is sourced from PubChem (CID 146236364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).