3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C13H20ClN5O — CID 83024967

IUPAC3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)NN2CCN(C)CC2)n1
InChIInChI=1S/C13H20ClN5O/c1-3-15-11-5-4-10(14)12(16-11)13(20)17-19-8-6-18(2)7-9-19/h4-5H,3,6-9H2,1-2H3,(H,15,16)(H,17,20)
InChIKeyWJGSFDRRVIURBL-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.06
Rot. Bonds4

About 3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 83024967) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID83024967
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)NN2CCN(C)CC2)n1
InChIInChI=1S/C13H20ClN5O/c1-3-15-11-5-4-10(14)12(16-11)13(20)17-19-8-6-18(2)7-9-19/h4-5H,3,6-9H2,1-2H3,(H,15,16)(H,17,20)
InChIKeyWJGSFDRRVIURBL-UHFFFAOYSA-N
XLogP1.06
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-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

6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 83024382
3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 62173834
3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62170609
3-chloro-6-(ethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62165390
3-chloro-6-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-2-carboxamide
CID 55047136
3-chloro-6-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-2-carboxamide
CID 63925355
3-chloro-6-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62165294
3-chloro-N-(2-cyclopentylethyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62181281
[3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63615127
3-chloro-N-(2-chloro-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 107631276
3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide
CID 62167177
[3-chloro-6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186546

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 83024967) is 3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)NN2CCN(C)CC2)n1.
What is the InChIKey of 3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is WJGSFDRRVIURBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c1-3-15-11-5-4-10(14)12(16-11)13(20)17-19-8-6-18(2)7-9-19/h4-5H,3,6-9H2,1-2H3,(H,15,16)(H,17,20).
What are the key properties of 3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 83024967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).