6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide

C16H17ClN4OS — CID 119513560

IUPAC6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCC1CCCN1)c1ccc(Sc2ccccc2Cl)nn1
InChIInChI=1S/C16H17ClN4OS/c17-12-5-1-2-6-14(12)23-15-8-7-13(20-21-15)16(22)19-10-11-4-3-9-18-11/h1-2,5-8,11,18H,3-4,9-10H2,(H,19,22)
InChIKeyPTONQRSDQNHUFI-UHFFFAOYSA-N
MW348.86 g/mol
LogP2.76
Rot. Bonds5

About 6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide

6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 119513560) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is 6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID119513560
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC Name6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCC1CCCN1)c1ccc(Sc2ccccc2Cl)nn1
InChIInChI=1S/C16H17ClN4OS/c17-12-5-1-2-6-14(12)23-15-8-7-13(20-21-15)16(22)19-10-11-4-3-9-18-11/h1-2,5-8,11,18H,3-4,9-10H2,(H,19,22)
InChIKeyPTONQRSDQNHUFI-UHFFFAOYSA-N
XLogP2.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide 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

N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride
CID 119498507
6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride
CID 120557782
2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 91841478
4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119357320
[2-(aminomethyl)pyrrolidin-1-yl]-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone;hydrochloride
CID 119633725
5-[(2,6-dichlorophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119514912
2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514188
[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492330
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287
3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107098061
5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119510511

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide (CID 119513560) is 6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide is O=C(NCC1CCCN1)c1ccc(Sc2ccccc2Cl)nn1.
What is the InChIKey of 6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is PTONQRSDQNHUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4OS/c17-12-5-1-2-6-14(12)23-15-8-7-13(20-21-15)16(22)19-10-11-4-3-9-18-11/h1-2,5-8,11,18H,3-4,9-10H2,(H,19,22).
What are the key properties of 6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide?
6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 348.86 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 119513560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).