6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide

C18H17ClIN5O3S — CID 126592568

IUPAC6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide
SMILESCn1c(Nc2ccc(I)cc2Cl)c(C(=O)N(N)CCCN=O)c2sccc2c1=O
InChIInChI=1S/C18H17ClIN5O3S/c1-24-16(23-13-4-3-10(20)9-12(13)19)14(15-11(17(24)26)5-8-29-15)18(27)25(21)7-2-6-22-28/h3-5,8-9,23H,2,6-7,21H2,1H3
InChIKeyRLUJZKFDKOBEGX-UHFFFAOYSA-N
MW545.79 g/mol
LogP4.07
Rot. Bonds7

About 6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide

6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide (PubChem CID 126592568) has the molecular formula C18H17ClIN5O3S and a molecular weight of 545.79 g/mol. Its IUPAC name is 6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide.

Molecular Properties

Compound Name6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide
PubChem CID126592568
Molecular FormulaC18H17ClIN5O3S
Molecular Weight545.79 g/mol
Exact Mass544.98
IUPAC Name6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide
SMILESCn1c(Nc2ccc(I)cc2Cl)c(C(=O)N(N)CCCN=O)c2sccc2c1=O
InChIInChI=1S/C18H17ClIN5O3S/c1-24-16(23-13-4-3-10(20)9-12(13)19)14(15-11(17(24)26)5-8-29-15)18(27)25(21)7-2-6-22-28/h3-5,8-9,23H,2,6-7,21H2,1H3
InChIKeyRLUJZKFDKOBEGX-UHFFFAOYSA-N
XLogP4.07
TPSA109.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.79
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide 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

6-(2-chloro-4-iodoanilino)-N-(3-hydroxypropyl)-3,5-dimethyl-4-oxothieno[3,2-c]pyridine-7-carboxamide
CID 53357967
N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide
CID 86671098
N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide
CID 68794347
4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 67523092
6-(2-fluoro-4-iodoanilino)-2,5-dimethyl-4-oxofuro[3,2-c]pyridine-7-carboxylate
CID 140595554
6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid
CID 142284829
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate
CID 107605946
[2-[4-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] acetate
CID 25109799
1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 55677510
6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
CID 67512258
6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 86712551

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide?
The IUPAC name of 6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide (CID 126592568) is 6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide.
What is the SMILES notation for 6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide?
The canonical SMILES for 6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide is Cn1c(Nc2ccc(I)cc2Cl)c(C(=O)N(N)CCCN=O)c2sccc2c1=O.
What is the InChIKey of 6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide?
The InChIKey is RLUJZKFDKOBEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClIN5O3S/c1-24-16(23-13-4-3-10(20)9-12(13)19)14(15-11(17(24)26)5-8-29-15)18(27)25(21)7-2-6-22-28/h3-5,8-9,23H,2,6-7,21H2,1H3.
What are the key properties of 6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide?
6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide has a molecular weight of 545.79 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide is sourced from PubChem (CID 126592568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).