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

C16H15N3O2 — CID 141478692

IUPACN-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccncc2)cc1C#N
InChIInChI=1S/C16H15N3O2/c1-2-9-21-15-4-3-14(10-13(15)11-17)19-16(20)12-5-7-18-8-6-12/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyKYPZWKUPGRJLCQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.99
Rot. Bonds5

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

N-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide (PubChem CID 141478692) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide
PubChem CID141478692
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccncc2)cc1C#N
InChIInChI=1S/C16H15N3O2/c1-2-9-21-15-4-3-14(10-13(15)11-17)19-16(20)12-5-7-18-8-6-12/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyKYPZWKUPGRJLCQ-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

Analyze N-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-4-carboxamide
CID 141478664
N-(4-butoxy-3-cyanophenyl)-2-methyl-2-propoxypropanamide
CID 100763865
N-(3-cyano-4-propoxyphenyl)-2-methoxy-2-methylhexanamide
CID 133229817
(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide
CID 100758079
(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide
CID 100760858
N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205489
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100744658
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide (CID 141478692) is N-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide is CCCOc1ccc(NC(=O)c2ccncc2)cc1C#N.
What is the InChIKey of N-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide?
The InChIKey is KYPZWKUPGRJLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-9-21-15-4-3-14(10-13(15)11-17)19-16(20)12-5-7-18-8-6-12/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of N-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide?
N-(3-cyano-4-propoxyphenyl)pyridine-4-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-4-carboxamide is sourced from PubChem (CID 141478692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).