N-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide

C16H15N3O2 — CID 141478661

IUPACN-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cccnc2)cc1C#N
InChIInChI=1S/C16H15N3O2/c1-2-8-21-15-6-5-14(9-13(15)10-17)19-16(20)12-4-3-7-18-11-12/h3-7,9,11H,2,8H2,1H3,(H,19,20)
InChIKeyXOXIYARONAXLCE-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.99
Rot. Bonds5

About N-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide

N-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide (PubChem CID 141478661) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide
PubChem CID141478661
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cccnc2)cc1C#N
InChIInChI=1S/C16H15N3O2/c1-2-8-21-15-6-5-14(9-13(15)10-17)19-16(20)12-4-3-7-18-11-12/h3-7,9,11H,2,8H2,1H3,(H,19,20)
InChIKeyXOXIYARONAXLCE-UHFFFAOYSA-N
XLogP2.99
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide (CID 141478661) is N-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide is CCCOc1ccc(NC(=O)c2cccnc2)cc1C#N.
What is the InChIKey of N-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide?
The InChIKey is XOXIYARONAXLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-8-21-15-6-5-14(9-13(15)10-17)19-16(20)12-4-3-7-18-11-12/h3-7,9,11H,2,8H2,1H3,(H,19,20).
What are the key properties of N-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide?
N-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-propoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 141478661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).