N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide

C20H21N5OS — CID 134535362

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C20H21N5OS/c21-16-5-3-14(18-2-1-11-27-18)12-17(16)24-20(26)15-4-6-19(23-13-15)25-9-7-22-8-10-25/h1-6,11-13,22H,7-10,21H2,(H,24,26)
InChIKeyGNVXBZURBBIHPJ-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.05
Rot. Bonds4

About N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 134535362) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
PubChem CID134535362
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C20H21N5OS/c21-16-5-3-14(18-2-1-11-27-18)12-17(16)24-20(26)15-4-6-19(23-13-15)25-9-7-22-8-10-25/h1-6,11-13,22H,7-10,21H2,(H,24,26)
InChIKeyGNVXBZURBBIHPJ-UHFFFAOYSA-N
XLogP3.05
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide
CID 25184385
[1-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]phosphonic acid
CID 69003485
N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide
CID 139451621
N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide
CID 139460390
N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 134535394
6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride
CID 162239841
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 146525524
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
N-(2-amino-5-thiophen-2-ylphenyl)-8-cyclopropyl-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 90115885
N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-(dimethylamino)pyrrolidin-1-yl]benzamide
CID 69101347

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide (CID 134535362) is N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCNCC2)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is GNVXBZURBBIHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c21-16-5-3-14(18-2-1-11-27-18)12-17(16)24-20(26)15-4-6-19(23-13-15)25-9-7-22-8-10-25/h1-6,11-13,22H,7-10,21H2,(H,24,26).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 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-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 134535362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).