5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide

C13H17N5O — CID 63724069

IUPAC5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCCN2CCNCC2)nc1
InChIInChI=1S/C13H17N5O/c14-9-11-1-2-12(17-10-11)13(19)16-5-8-18-6-3-15-4-7-18/h1-2,10,15H,3-8H2,(H,16,19)
InChIKeyVBDLKXNWIMSTDM-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.41
Rot. Bonds4

About 5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide

5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide (PubChem CID 63724069) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide
PubChem CID63724069
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCCN2CCNCC2)nc1
InChIInChI=1S/C13H17N5O/c14-9-11-1-2-12(17-10-11)13(19)16-5-8-18-6-3-15-4-7-18/h1-2,10,15H,3-8H2,(H,16,19)
InChIKeyVBDLKXNWIMSTDM-UHFFFAOYSA-N
XLogP-0.41
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63717300
methyl 1-[3-[(5-cyanopyridine-2-carbonyl)amino]propyl]piperidine-4-carboxylate
CID 166187744
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383
5-cyano-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 63719383
6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 61408387
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834949
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-(4-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277590
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide (CID 63724069) is 5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide is N#Cc1ccc(C(=O)NCCN2CCNCC2)nc1.
What is the InChIKey of 5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is VBDLKXNWIMSTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-9-11-1-2-12(17-10-11)13(19)16-5-8-18-6-3-15-4-7-18/h1-2,10,15H,3-8H2,(H,16,19).
What are the key properties of 5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide?
5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 63724069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).