N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide

C17H26N4O2 — CID 109084555

IUPACN-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESCCN1CCN(C(=O)c2cc(C(=O)NC(C)(C)C)ccn2)CC1
InChIInChI=1S/C17H26N4O2/c1-5-20-8-10-21(11-9-20)16(23)14-12-13(6-7-18-14)15(22)19-17(2,3)4/h6-7,12H,5,8-11H2,1-4H3,(H,19,22)
InChIKeyLUUGTXGKDITDNM-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.39
Rot. Bonds3

About N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide

N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109084555) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109084555
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESCCN1CCN(C(=O)c2cc(C(=O)NC(C)(C)C)ccn2)CC1
InChIInChI=1S/C17H26N4O2/c1-5-20-8-10-21(11-9-20)16(23)14-12-13(6-7-18-14)15(22)19-17(2,3)4/h6-7,12H,5,8-11H2,1-4H3,(H,19,22)
InChIKeyLUUGTXGKDITDNM-UHFFFAOYSA-N
XLogP1.39
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)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

ethyl 4-[4-(tert-butylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109088681
2-(4-ethylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077634
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109088728
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109084601
N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109088600
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081659
N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080380
2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109084527
2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084586
2-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109084621
4-(4-ethylpiperazine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109084455

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide (CID 109084555) is N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide is CCN1CCN(C(=O)c2cc(C(=O)NC(C)(C)C)ccn2)CC1.
What is the InChIKey of N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is LUUGTXGKDITDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-5-20-8-10-21(11-9-20)16(23)14-12-13(6-7-18-14)15(22)19-17(2,3)4/h6-7,12H,5,8-11H2,1-4H3,(H,19,22).
What are the key properties of N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide?
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109084555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).