N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

C18H28N4O — CID 25182094

IUPACN-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(C(=O)NCC3CCCCC3)cn2)CC1
InChIInChI=1S/C18H28N4O/c1-21-9-11-22(12-10-21)17-8-7-16(14-19-17)18(23)20-13-15-5-3-2-4-6-15/h7-8,14-15H,2-6,9-13H2,1H3,(H,20,23)
InChIKeyQHZLEPUJUUFCTC-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.14
Rot. Bonds4

About N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 25182094) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID25182094
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(C(=O)NCC3CCCCC3)cn2)CC1
InChIInChI=1S/C18H28N4O/c1-21-9-11-22(12-10-21)17-8-7-16(14-19-17)18(23)20-13-15-5-3-2-4-6-15/h7-8,14-15H,2-6,9-13H2,1H3,(H,20,23)
InChIKeyQHZLEPUJUUFCTC-UHFFFAOYSA-N
XLogP2.14
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 25182094) is N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is CN1CCN(c2ccc(C(=O)NCC3CCCCC3)cn2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is QHZLEPUJUUFCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-21-9-11-22(12-10-21)17-8-7-16(14-19-17)18(23)20-13-15-5-3-2-4-6-15/h7-8,14-15H,2-6,9-13H2,1H3,(H,20,23).
What are the key properties of N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 25182094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).