6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide

C22H28ClN5O2 — CID 87555935

IUPAC6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide
SMILESCC(C)CC(C)NC(=O)c1ccc(N2CCN(C(=O)c3cccnc3Cl)CC2)nc1
InChIInChI=1S/C22H28ClN5O2/c1-15(2)13-16(3)26-21(29)17-6-7-19(25-14-17)27-9-11-28(12-10-27)22(30)18-5-4-8-24-20(18)23/h4-8,14-16H,9-13H2,1-3H3,(H,26,29)
InChIKeySYUKLPGIHYSMIG-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.26
Rot. Bonds6

About 6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide

6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide (PubChem CID 87555935) has the molecular formula C22H28ClN5O2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide
PubChem CID87555935
Molecular FormulaC22H28ClN5O2
Molecular Weight429.95 g/mol
Exact Mass429.19
IUPAC Name6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide
SMILESCC(C)CC(C)NC(=O)c1ccc(N2CCN(C(=O)c3cccnc3Cl)CC2)nc1
InChIInChI=1S/C22H28ClN5O2/c1-15(2)13-16(3)26-21(29)17-6-7-19(25-14-17)27-9-11-28(12-10-27)22(30)18-5-4-8-24-20(18)23/h4-8,14-16H,9-13H2,1-3H3,(H,26,29)
InChIKeySYUKLPGIHYSMIG-UHFFFAOYSA-N
XLogP3.26
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide (CID 87555935) is 6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide is CC(C)CC(C)NC(=O)c1ccc(N2CCN(C(=O)c3cccnc3Cl)CC2)nc1.
What is the InChIKey of 6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide?
The InChIKey is SYUKLPGIHYSMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O2/c1-15(2)13-16(3)26-21(29)17-6-7-19(25-14-17)27-9-11-28(12-10-27)22(30)18-5-4-8-24-20(18)23/h4-8,14-16H,9-13H2,1-3H3,(H,26,29).
What are the key properties of 6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide?
6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 87555935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).