5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide

C21H28N4O — CID 109193366

IUPAC5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C21H28N4O/c1-21(2,3)23-20(26)19-10-9-18(15-22-19)25-13-11-24(12-14-25)16-17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,23,26)
InChIKeySLKKONFDPXZKFW-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.93
Rot. Bonds4

About 5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide

5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide (PubChem CID 109193366) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide
PubChem CID109193366
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C21H28N4O/c1-21(2,3)23-20(26)19-10-9-18(15-22-19)25-13-11-24(12-14-25)16-17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,23,26)
InChIKeySLKKONFDPXZKFW-UHFFFAOYSA-N
XLogP2.93
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201
6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide
CID 109372587
5-(4-benzylpiperazin-1-yl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 66710221
3-amino-5-[[4-[6-(methylcarbamoyl)-3-pyridinyl]piperazin-1-yl]methyl]pyridine-2-carboxylic acid
CID 169102595
1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113028774
[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 82055072
1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine
CID 138460517
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109187850
N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 113028773
methyl 2-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methylpropanoate
CID 69085600
N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide
CID 109186763

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide (CID 109193366) is 5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide is CC(C)(C)NC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide?
The InChIKey is SLKKONFDPXZKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-21(2,3)23-20(26)19-10-9-18(15-22-19)25-13-11-24(12-14-25)16-17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,23,26).
What are the key properties of 5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide?
5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.93, 4 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-tert-butylpyridine-2-carboxamide is sourced from PubChem (CID 109193366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).