6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide

C22H31N5O — CID 109154403

IUPAC6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C22H31N5O/c1-25(2)12-6-11-23-22(28)20-9-10-21(24-17-20)27-15-13-26(14-16-27)18-19-7-4-3-5-8-19/h3-5,7-10,17H,6,11-16,18H2,1-2H3,(H,23,28)
InChIKeyZUOXPVFGBYPBBY-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.09
Rot. Bonds8

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

6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (PubChem CID 109154403) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
PubChem CID109154403
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C22H31N5O/c1-25(2)12-6-11-23-22(28)20-9-10-21(24-17-20)27-15-13-26(14-16-27)18-19-7-4-3-5-8-19/h3-5,7-10,17H,6,11-16,18H2,1-2H3,(H,23,28)
InChIKeyZUOXPVFGBYPBBY-UHFFFAOYSA-N
XLogP2.09
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.09
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-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 68738487
N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41455697
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153889
3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 109016894
N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109153888
N-[3-(dimethylamino)propyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38106007
N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154394
6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide
CID 56712088
N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 17422605
N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155589
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166760

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (CID 109154403) is 6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide is CN(C)CCCNC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The InChIKey is ZUOXPVFGBYPBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-25(2)12-6-11-23-22(28)20-9-10-21(24-17-20)27-15-13-26(14-16-27)18-19-7-4-3-5-8-19/h3-5,7-10,17H,6,11-16,18H2,1-2H3,(H,23,28).
What are the key properties of 6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 109154403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).