N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

C21H23N5OS — CID 59737234

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cn2)CC1
InChIInChI=1S/C21H23N5OS/c1-25-8-10-26(11-9-25)20-7-5-16(14-23-20)21(27)24-18-13-15(4-6-17(18)22)19-3-2-12-28-19/h2-7,12-14H,8-11,22H2,1H3,(H,24,27)
InChIKeyCFRFHYSJNZINRK-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.40
Rot. Bonds4

About N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 59737234) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID59737234
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cn2)CC1
InChIInChI=1S/C21H23N5OS/c1-25-8-10-26(11-9-25)20-7-5-16(14-23-20)21(27)24-18-13-15(4-6-17(18)22)19-3-2-12-28-19/h2-7,12-14H,8-11,22H2,1H3,(H,24,27)
InChIKeyCFRFHYSJNZINRK-UHFFFAOYSA-N
XLogP3.40
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 59737234) is N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is CN1CCN(c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cn2)CC1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is CFRFHYSJNZINRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-25-8-10-26(11-9-25)20-7-5-16(14-23-20)21(27)24-18-13-15(4-6-17(18)22)19-3-2-12-28-19/h2-7,12-14H,8-11,22H2,1H3,(H,24,27).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 393.52 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 59737234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).