[4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate

C14H10Cl2N4O5S — CID 175605958

IUPAC[4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate
SMILESCc1nc(Cl)c(C(=O)Nc2ccnc(OC(=O)N=S(=O)=O)c2)c(C)c1Cl
InChIInChI=1S/C14H10Cl2N4O5S/c1-6-10(12(16)18-7(2)11(6)15)13(21)19-8-3-4-17-9(5-8)25-14(22)20-26(23)24/h3-5H,1-2H3,(H,17,19,21)
InChIKeyCTCFOCGMTMVCHH-UHFFFAOYSA-N
MW417.23 g/mol
LogP3.21
Rot. Bonds3

About [4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate

[4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate (PubChem CID 175605958) has the molecular formula C14H10Cl2N4O5S and a molecular weight of 417.23 g/mol. Its IUPAC name is [4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate.

Molecular Properties

Compound Name[4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate
PubChem CID175605958
Molecular FormulaC14H10Cl2N4O5S
Molecular Weight417.23 g/mol
Exact Mass415.97
IUPAC Name[4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate
SMILESCc1nc(Cl)c(C(=O)Nc2ccnc(OC(=O)N=S(=O)=O)c2)c(C)c1Cl
InChIInChI=1S/C14H10Cl2N4O5S/c1-6-10(12(16)18-7(2)11(6)15)13(21)19-8-3-4-17-9(5-8)25-14(22)20-26(23)24/h3-5H,1-2H3,(H,17,19,21)
InChIKeyCTCFOCGMTMVCHH-UHFFFAOYSA-N
XLogP3.21
TPSA127.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate 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

[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate
CID 175605939
[4-[[2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate
CID 175605921
2-[(2-chloro-4-pyridinyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429218
4-chloro-N-(2-methoxy-4-pyridinyl)pyridine-3-carboxamide
CID 112739518
5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 176694679
2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide
CID 112739552
2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110465342
2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 4862032
2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide
CID 4862033
2-chloro-6-methyl-N-pyridin-4-ylbenzamide
CID 59618146
5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 112820278
2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 78954355

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate?
The IUPAC name of [4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate (CID 175605958) is [4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate.
What is the SMILES notation for [4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate?
The canonical SMILES for [4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate is Cc1nc(Cl)c(C(=O)Nc2ccnc(OC(=O)N=S(=O)=O)c2)c(C)c1Cl.
What is the InChIKey of [4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate?
The InChIKey is CTCFOCGMTMVCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O5S/c1-6-10(12(16)18-7(2)11(6)15)13(21)19-8-3-4-17-9(5-8)25-14(22)20-26(23)24/h3-5H,1-2H3,(H,17,19,21).
What are the key properties of [4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate?
[4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate has a molecular weight of 417.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate is sourced from PubChem (CID 175605958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).