N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide

C25H27N5O2S — CID 139451621

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CC3(CCNCC3)CCC2=O)nc1
InChIInChI=1S/C25H27N5O2S/c26-19-5-3-17(21-2-1-13-33-21)14-20(19)29-24(32)18-4-6-22(28-15-18)30-16-25(8-7-23(30)31)9-11-27-12-10-25/h1-6,13-15,27H,7-12,16,26H2,(H,29,32)
InChIKeyVZLMSYBFEMEOLD-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.14
Rot. Bonds4

About N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide (PubChem CID 139451621) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide
PubChem CID139451621
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CC3(CCNCC3)CCC2=O)nc1
InChIInChI=1S/C25H27N5O2S/c26-19-5-3-17(21-2-1-13-33-21)14-20(19)29-24(32)18-4-6-22(28-15-18)30-16-25(8-7-23(30)31)9-11-27-12-10-25/h1-6,13-15,27H,7-12,16,26H2,(H,29,32)
InChIKeyVZLMSYBFEMEOLD-UHFFFAOYSA-N
XLogP4.14
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.14
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-piperazin-1-ylpyridine-3-carboxamide
CID 134535362
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)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide
CID 25184385
N-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide
CID 139460048
[1-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]phosphonic acid
CID 69003485
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
N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide
CID 59737416
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(2-cyclopropyl-6-oxo-2,5-diazaspiro[3.4]octan-5-yl)methyl]benzamide
CID 139460044
N-(2-amino-5-thiophen-2-ylphenyl)-4-[2-(4-methyl-2,5-dioxopiperazin-1-yl)ethyl]benzamide
CID 145031072
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)methyl]benzamide
CID 139460401
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide (CID 139451621) is N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CC3(CCNCC3)CCC2=O)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide?
The InChIKey is VZLMSYBFEMEOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S/c26-19-5-3-17(21-2-1-13-33-21)14-20(19)29-24(32)18-4-6-22(28-15-18)30-16-25(8-7-23(30)31)9-11-27-12-10-25/h1-6,13-15,27H,7-12,16,26H2,(H,29,32).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 4.14, 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-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 139451621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).