6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide

C17H24N4O2 — CID 173079104

IUPAC6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(N2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C17H24N4O2/c18-16(22)14-7-4-8-15(19-14)20-9-11-21(12-10-20)17(23)13-5-2-1-3-6-13/h4,7-8,13H,1-3,5-6,9-12H2,(H2,18,22)
InChIKeyWAUZIMJUBCMXTE-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.41
Rot. Bonds3

About 6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide

6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 173079104) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide
PubChem CID173079104
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(N2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C17H24N4O2/c18-16(22)14-7-4-8-15(19-14)20-9-11-21(12-10-20)17(23)13-5-2-1-3-6-13/h4,7-8,13H,1-3,5-6,9-12H2,(H2,18,22)
InChIKeyWAUZIMJUBCMXTE-UHFFFAOYSA-N
XLogP1.41
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid
CID 64590146
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 138385690
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
CID 84573821
6-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]pyridine-2-carboxylic acid
CID 122053696
6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 163578715
6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 84573746
6-(azepan-1-yl)-N-cycloheptylpyridine-2-carboxamide
CID 84573847
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 95622258
4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide
CID 68550560

Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide (CID 173079104) is 6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide is NC(=O)c1cccc(N2CCN(C(=O)C3CCCCC3)CC2)n1.
What is the InChIKey of 6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is WAUZIMJUBCMXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c18-16(22)14-7-4-8-15(19-14)20-9-11-21(12-10-20)17(23)13-5-2-1-3-6-13/h4,7-8,13H,1-3,5-6,9-12H2,(H2,18,22).
What are the key properties of 6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide?
6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 173079104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).