5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide

C15H20N4O — CID 63724074

IUPAC5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ccc(C#N)cn1)C1CCNCC1
InChIInChI=1S/C15H20N4O/c1-2-9-19(13-5-7-17-8-6-13)15(20)14-4-3-12(10-16)11-18-14/h3-4,11,13,17H,2,5-9H2,1H3
InChIKeyGIMRTITYWILWOJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.56
Rot. Bonds4

About 5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide

5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide (PubChem CID 63724074) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
PubChem CID63724074
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ccc(C#N)cn1)C1CCNCC1
InChIInChI=1S/C15H20N4O/c1-2-9-19(13-5-7-17-8-6-13)15(20)14-4-3-12(10-16)11-18-14/h3-4,11,13,17H,2,5-9H2,1H3
InChIKeyGIMRTITYWILWOJ-UHFFFAOYSA-N
XLogP1.56
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-5-cyano-N-cyclopropylpyridine-2-carboxamide
CID 80665123
5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 63724260
N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide
CID 59688833
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290
N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737122
6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide
CID 103813157
5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 63724052
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
5-fluoro-N-piperidin-3-yl-N-propylpyridine-2-carboxamide
CID 104639262
N-butyl-5-cyano-N-ethylpyridine-2-carboxamide
CID 63719310
4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile
CID 62029927

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide (CID 63724074) is 5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide is CCCN(C(=O)c1ccc(C#N)cn1)C1CCNCC1.
What is the InChIKey of 5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide?
The InChIKey is GIMRTITYWILWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-9-19(13-5-7-17-8-6-13)15(20)14-4-3-12(10-16)11-18-14/h3-4,11,13,17H,2,5-9H2,1H3.
What are the key properties of 5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide?
5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 63724074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).