2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile

C14H13N3O — CID 12789009

IUPAC2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
SMILESCCCc1[nH]c(=O)c(C#N)cc1-c1ccncc1
InChIInChI=1S/C14H13N3O/c1-2-3-13-12(10-4-6-16-7-5-10)8-11(9-15)14(18)17-13/h4-8H,2-3H2,1H3,(H,17,18)
InChIKeyKALBBNASERLKTK-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.26
Rot. Bonds3

About 2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile

2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile (PubChem CID 12789009) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
PubChem CID12789009
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
SMILESCCCc1[nH]c(=O)c(C#N)cc1-c1ccncc1
InChIInChI=1S/C14H13N3O/c1-2-3-13-12(10-4-6-16-7-5-10)8-11(9-15)14(18)17-13/h4-8H,2-3H2,1H3,(H,17,18)
InChIKeyKALBBNASERLKTK-UHFFFAOYSA-N
XLogP2.26
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile (CID 12789009) is 2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile is CCCc1[nH]c(=O)c(C#N)cc1-c1ccncc1.
What is the InChIKey of 2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The InChIKey is KALBBNASERLKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-3-13-12(10-4-6-16-7-5-10)8-11(9-15)14(18)17-13/h4-8H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 12789009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).