5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide

C13H17N3O2 — CID 82942469

IUPAC5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide
SMILESCCCOCCCNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H17N3O2/c1-2-7-18-8-3-6-15-13(17)12-5-4-11(9-14)10-16-12/h4-5,10H,2-3,6-8H2,1H3,(H,15,17)
InChIKeyGDMDRPKYDWKAAB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.50
Rot. Bonds7

About 5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide

5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide (PubChem CID 82942469) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide
PubChem CID82942469
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide
SMILESCCCOCCCNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H17N3O2/c1-2-7-18-8-3-6-15-13(17)12-5-4-11(9-14)10-16-12/h4-5,10H,2-3,6-8H2,1H3,(H,15,17)
InChIKeyGDMDRPKYDWKAAB-UHFFFAOYSA-N
XLogP1.50
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 63716783
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383
N-(3-ethoxypropyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959692
5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
CID 109195813
5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide
CID 103877415
5-cyano-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 63719383
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
methyl 1-[3-[(5-cyanopyridine-2-carbonyl)amino]propyl]piperidine-4-carboxylate
CID 166187744

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide (CID 82942469) is 5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide is CCCOCCCNC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide?
The InChIKey is GDMDRPKYDWKAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-7-18-8-3-6-15-13(17)12-5-4-11(9-14)10-16-12/h4-5,10H,2-3,6-8H2,1H3,(H,15,17).
What are the key properties of 5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide?
5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 82942469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).