6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile

C15H15N3O — CID 14640634

IUPAC6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
SMILESCCCOc1nc(C)c(-c2ccncc2)cc1C#N
InChIInChI=1S/C15H15N3O/c1-3-8-19-15-13(10-16)9-14(11(2)18-15)12-4-6-17-7-5-12/h4-7,9H,3,8H2,1-2H3
InChIKeyLAWSAWKXWGJXOO-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.11
Rot. Bonds4

About 6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile

6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile (PubChem CID 14640634) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
PubChem CID14640634
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
SMILESCCCOc1nc(C)c(-c2ccncc2)cc1C#N
InChIInChI=1S/C15H15N3O/c1-3-8-19-15-13(10-16)9-14(11(2)18-15)12-4-6-17-7-5-12/h4-7,9H,3,8H2,1-2H3
InChIKeyLAWSAWKXWGJXOO-UHFFFAOYSA-N
XLogP3.11
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
CID 70050897
2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 175073119
(2S,3S,4S,5R,6S)-6-[(3-cyano-6-methyl-5-pyridin-4-yl-2-pyridinyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 156613834
2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 63271011
6-(4-methylphenyl)-4-(4-nitrophenyl)-2-propoxypyridine-3-carbonitrile
CID 169450172
3-propoxypyridine-4-carbonitrile
CID 19432765
6-(4-bromophenyl)-2-butoxy-5-(4-ethylsulfonylphenyl)pyridine-3-carbonitrile
CID 67688654
4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine
CID 102441493
2-oxo-1-propyl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 141282317
2-amino-6-(2-hydroxyethoxy)pyridine-3,5-dicarbonitrile
CID 175961135
2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile
CID 1476365
ethene;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 22605028

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile (CID 14640634) is 6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile is CCCOc1nc(C)c(-c2ccncc2)cc1C#N.
What is the InChIKey of 6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile?
The InChIKey is LAWSAWKXWGJXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-8-19-15-13(10-16)9-14(11(2)18-15)12-4-6-17-7-5-12/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile?
6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 14640634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).