4-amino-6-methyl-5-propylpyridine-3-carbonitrile

C10H13N3 — CID 170229484

IUPAC4-amino-6-methyl-5-propylpyridine-3-carbonitrile
SMILESCCCc1c(C)ncc(C#N)c1N
InChIInChI=1S/C10H13N3/c1-3-4-9-7(2)13-6-8(5-11)10(9)12/h6H,3-4H2,1-2H3,(H2,12,13)
InChIKeyCRJCBANWFFIXAM-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.80
Rot. Bonds2

About 4-amino-6-methyl-5-propylpyridine-3-carbonitrile

4-amino-6-methyl-5-propylpyridine-3-carbonitrile (PubChem CID 170229484) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-amino-6-methyl-5-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methyl-5-propylpyridine-3-carbonitrile
PubChem CID170229484
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name4-amino-6-methyl-5-propylpyridine-3-carbonitrile
SMILESCCCc1c(C)ncc(C#N)c1N
InChIInChI=1S/C10H13N3/c1-3-4-9-7(2)13-6-8(5-11)10(9)12/h6H,3-4H2,1-2H3,(H2,12,13)
InChIKeyCRJCBANWFFIXAM-UHFFFAOYSA-N
XLogP1.80
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-5-propylpyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-methyl-5-propylpyridine-3-carbonitrile (CID 170229484) is 4-amino-6-methyl-5-propylpyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-methyl-5-propylpyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-methyl-5-propylpyridine-3-carbonitrile is CCCc1c(C)ncc(C#N)c1N.
What is the InChIKey of 4-amino-6-methyl-5-propylpyridine-3-carbonitrile?
The InChIKey is CRJCBANWFFIXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-4-9-7(2)13-6-8(5-11)10(9)12/h6H,3-4H2,1-2H3,(H2,12,13).
What are the key properties of 4-amino-6-methyl-5-propylpyridine-3-carbonitrile?
4-amino-6-methyl-5-propylpyridine-3-carbonitrile has a molecular weight of 175.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-5-propylpyridine-3-carbonitrile is sourced from PubChem (CID 170229484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).