5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide

C20H26N4O — CID 109223207

IUPAC5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cncc(N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H26N4O/c1-16(2)22-20(25)18-12-19(14-21-13-18)24-10-8-23(9-11-24)15-17-6-4-3-5-7-17/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,22,25)
InChIKeyUUYFXQRUFIELFC-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.54
Rot. Bonds5

About 5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide

5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109223207) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109223207
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cncc(N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H26N4O/c1-16(2)22-20(25)18-12-19(14-21-13-18)24-10-8-23(9-11-24)15-17-6-4-3-5-7-17/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,22,25)
InChIKeyUUYFXQRUFIELFC-UHFFFAOYSA-N
XLogP2.54
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 109223224
5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228768
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 109223246
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708
5-morpholin-4-yl-N-propan-2-ylpyridine-3-carboxamide
CID 109223170
(4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109237470
6-(4-benzylpiperazin-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360619
N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1362793
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223215
N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225130
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide (CID 109223207) is 5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cncc(N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is UUYFXQRUFIELFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16(2)22-20(25)18-12-19(14-21-13-18)24-10-8-23(9-11-24)15-17-6-4-3-5-7-17/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,22,25).
What are the key properties of 5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide?
5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109223207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).