N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide

C21H26N4O2 — CID 109168959

IUPACN-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccnc(N3CCN(C=O)CC3)c2)cc1
InChIInChI=1S/C21H26N4O2/c1-21(2,3)17-4-6-18(7-5-17)23-20(27)16-8-9-22-19(14-16)25-12-10-24(15-26)11-13-25/h4-9,14-15H,10-13H2,1-3H3,(H,23,27)
InChIKeyOLLBHNJJTKDQPM-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.91
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide

N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 109168959) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID109168959
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccnc(N3CCN(C=O)CC3)c2)cc1
InChIInChI=1S/C21H26N4O2/c1-21(2,3)17-4-6-18(7-5-17)23-20(27)16-8-9-22-19(14-16)25-12-10-24(15-26)11-13-25/h4-9,14-15H,10-13H2,1-3H3,(H,23,27)
InChIKeyOLLBHNJJTKDQPM-UHFFFAOYSA-N
XLogP2.91
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-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

N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168993
N-(4-tert-butylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367510
N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168975
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109168784
3,4-dichloro-N-[4-(4-formylpiperazin-1-yl)phenyl]benzamide
CID 112981690
2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109254563
N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168916
N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084830
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109168800
4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112852

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide (CID 109168959) is N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccnc(N3CCN(C=O)CC3)c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is OLLBHNJJTKDQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-21(2,3)17-4-6-18(7-5-17)23-20(27)16-8-9-22-19(14-16)25-12-10-24(15-26)11-13-25/h4-9,14-15H,10-13H2,1-3H3,(H,23,27).
What are the key properties of N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109168959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).