N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide

C21H28N4O — CID 55932888

IUPACN-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
SMILESO=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C21H28N4O/c26-21(20-10-4-5-11-22-20)23-12-6-7-13-24-14-16-25(17-15-24)18-19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2,(H,23,26)
InChIKeyNZZKDTWPWGRLHJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.41
Rot. Bonds8

About N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide

N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide (PubChem CID 55932888) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
PubChem CID55932888
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
SMILESO=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C21H28N4O/c26-21(20-10-4-5-11-22-20)23-12-6-7-13-24-14-16-25(17-15-24)18-19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2,(H,23,26)
InChIKeyNZZKDTWPWGRLHJ-UHFFFAOYSA-N
XLogP2.41
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-benzylpiperazin-1-yl)propyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010295
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-2-carboxamide;hydrochloride
CID 67841314
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-hydroxyethyl)urea
CID 110894265
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(pyrimidin-2-ylamino)benzamide
CID 46416964
N-[3-(4-benzylpiperazin-1-yl)propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55634446
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
2-(4-benzylpiperazin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109309418
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
CID 120703889
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46447531

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide (CID 55932888) is N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide is O=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1ccccn1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide?
The InChIKey is NZZKDTWPWGRLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-21(20-10-4-5-11-22-20)23-12-6-7-13-24-14-16-25(17-15-24)18-19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2,(H,23,26).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide?
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide is sourced from PubChem (CID 55932888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).