2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine

C20H24ClN5OS — CID 143836312

IUPAC2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine
SMILESCN.NC(=O)c1nnc(CC2CCCNC2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C19H19ClN4OS.CH5N/c20-13-5-3-12(4-6-13)16-9-14-15(8-11-2-1-7-22-10-11)23-24-17(19(21)25)18(14)26-16;1-2/h3-6,9,11,22H,1-2,7-8,10H2,(H2,21,25);2H2,1H3
InChIKeyYOWURWGHCARRQR-UHFFFAOYSA-N
MW417.97 g/mol
LogP3.23
Rot. Bonds4

About 2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine

2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine (PubChem CID 143836312) has the molecular formula C20H24ClN5OS and a molecular weight of 417.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine
PubChem CID143836312
Molecular FormulaC20H24ClN5OS
Molecular Weight417.97 g/mol
Exact Mass417.14
IUPAC Name2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine
SMILESCN.NC(=O)c1nnc(CC2CCCNC2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C19H19ClN4OS.CH5N/c20-13-5-3-12(4-6-13)16-9-14-15(8-11-2-1-7-22-10-11)23-24-17(19(21)25)18(14)26-16;1-2/h3-6,9,11,22H,1-2,7-8,10H2,(H2,21,25);2H2,1H3
InChIKeyYOWURWGHCARRQR-UHFFFAOYSA-N
XLogP3.23
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.97
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 58103172
2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide
CID 122662388
2-(4-chlorophenyl)-4-[[(3R)-pyrrolidin-3-yl]amino]thieno[2,3-d]pyridazine-7-carboxamide
CID 67053835
4-[(1-chloropiperidin-3-yl)methyl]-2-(3,5-dichlorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 89016986
2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 58103194
2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 52943706
2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 71053408
ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;methylidenecyclohexane
CID 123201108
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11451776
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528
2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51034772
4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642701

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine?
The IUPAC name of 2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine (CID 143836312) is 2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine is CN.NC(=O)c1nnc(CC2CCCNC2)c2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine?
The InChIKey is YOWURWGHCARRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS.CH5N/c20-13-5-3-12(4-6-13)16-9-14-15(8-11-2-1-7-22-10-11)23-24-17(19(21)25)18(14)26-16;1-2/h3-6,9,11,22H,1-2,7-8,10H2,(H2,21,25);2H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine?
2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine has a molecular weight of 417.97 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine is sourced from PubChem (CID 143836312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).