N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

C20H22N6OS — CID 137413068

IUPACN-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3nc(-c4cccs4)ccc3N)cn2)CC1
InChIInChI=1S/C20H22N6OS/c1-25-8-10-26(11-9-25)18-7-4-14(13-22-18)20(27)24-19-15(21)5-6-16(23-19)17-3-2-12-28-17/h2-7,12-13H,8-11,21H2,1H3,(H,23,24,27)
InChIKeyZETOGDCIFTXONW-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.79
Rot. Bonds4

About N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 137413068) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID137413068
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC NameN-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3nc(-c4cccs4)ccc3N)cn2)CC1
InChIInChI=1S/C20H22N6OS/c1-25-8-10-26(11-9-25)18-7-4-14(13-22-18)20(27)24-19-15(21)5-6-16(23-19)17-3-2-12-28-17/h2-7,12-13H,8-11,21H2,1H3,(H,23,24,27)
InChIKeyZETOGDCIFTXONW-UHFFFAOYSA-N
XLogP2.79
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-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 N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 137413068) is N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is CN1CCN(c2ccc(C(=O)Nc3nc(-c4cccs4)ccc3N)cn2)CC1.
What is the InChIKey of N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is ZETOGDCIFTXONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-25-8-10-26(11-9-25)18-7-4-14(13-22-18)20(27)24-19-15(21)5-6-16(23-19)17-3-2-12-28-17/h2-7,12-13H,8-11,21H2,1H3,(H,23,24,27).
What are the key properties of N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 137413068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).