6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide

C23H37N5O2 — CID 68738487

IUPAC6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(N2CCN(C(=O)CC3CCCCC3)CC2)nc1
InChIInChI=1S/C23H37N5O2/c1-26(2)12-6-11-24-23(30)20-9-10-21(25-18-20)27-13-15-28(16-14-27)22(29)17-19-7-4-3-5-8-19/h9-10,18-19H,3-8,11-17H2,1-2H3,(H,24,30)
InChIKeyOPYSTBCXUYRXMI-UHFFFAOYSA-N
MW415.58 g/mol
LogP2.38
Rot. Bonds8

About 6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide

6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (PubChem CID 68738487) has the molecular formula C23H37N5O2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
PubChem CID68738487
Molecular FormulaC23H37N5O2
Molecular Weight415.58 g/mol
Exact Mass415.29
IUPAC Name6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(N2CCN(C(=O)CC3CCCCC3)CC2)nc1
InChIInChI=1S/C23H37N5O2/c1-26(2)12-6-11-24-23(30)20-9-10-21(25-18-20)27-13-15-28(16-14-27)22(29)17-19-7-4-3-5-8-19/h9-10,18-19H,3-8,11-17H2,1-2H3,(H,24,30)
InChIKeyOPYSTBCXUYRXMI-UHFFFAOYSA-N
XLogP2.38
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 68740839
6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154403
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 11304265
2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253363
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153889
N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109153888
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 11280398
2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053550
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (CID 68738487) is 6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide is CN(C)CCCNC(=O)c1ccc(N2CCN(C(=O)CC3CCCCC3)CC2)nc1.
What is the InChIKey of 6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The InChIKey is OPYSTBCXUYRXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O2/c1-26(2)12-6-11-24-23(30)20-9-10-21(25-18-20)27-13-15-28(16-14-27)22(29)17-19-7-4-3-5-8-19/h9-10,18-19H,3-8,11-17H2,1-2H3,(H,24,30).
What are the key properties of 6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 68738487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).