6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide

C16H20ClN5OS — CID 133340874

IUPAC6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide
SMILESCN1CCCC(CNc2nnc(Cl)cc2C(N)=O)C1c1cccs1
InChIInChI=1S/C16H20ClN5OS/c1-22-6-2-4-10(14(22)12-5-3-7-24-12)9-19-16-11(15(18)23)8-13(17)20-21-16/h3,5,7-8,10,14H,2,4,6,9H2,1H3,(H2,18,23)(H,19,21)
InChIKeyYBMCGTOMYKYHKY-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.79
Rot. Bonds5

About 6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide

6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide (PubChem CID 133340874) has the molecular formula C16H20ClN5OS and a molecular weight of 365.89 g/mol. Its IUPAC name is 6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide
PubChem CID133340874
Molecular FormulaC16H20ClN5OS
Molecular Weight365.89 g/mol
Exact Mass365.11
IUPAC Name6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide
SMILESCN1CCCC(CNc2nnc(Cl)cc2C(N)=O)C1c1cccs1
InChIInChI=1S/C16H20ClN5OS/c1-22-6-2-4-10(14(22)12-5-3-7-24-12)9-19-16-11(15(18)23)8-13(17)20-21-16/h3,5,7-8,10,14H,2,4,6,9H2,1H3,(H2,18,23)(H,19,21)
InChIKeyYBMCGTOMYKYHKY-UHFFFAOYSA-N
XLogP2.79
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydroxy-N-[[(2R,3S)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]benzamide
CID 124625545
N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 129378000
1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971398
2,6-dichloro-4-[(1S)-1-[[(2R,3S)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methylamino]ethyl]aniline
CID 124860029
1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 129378110
2-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-5-nitropyrimidine-2,4-diamine
CID 129422400
6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide
CID 133417486
N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine
CID 133484080
3-[[N'-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111666022
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111666930
3-(3-but-3-ynyldiazirin-3-yl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]propanamide
CID 167867938
2-cyclohexyl-N-[2-[[N'-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111666751

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide (CID 133340874) is 6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide is CN1CCCC(CNc2nnc(Cl)cc2C(N)=O)C1c1cccs1.
What is the InChIKey of 6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide?
The InChIKey is YBMCGTOMYKYHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5OS/c1-22-6-2-4-10(14(22)12-5-3-7-24-12)9-19-16-11(15(18)23)8-13(17)20-21-16/h3,5,7-8,10,14H,2,4,6,9H2,1H3,(H2,18,23)(H,19,21).
What are the key properties of 6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide?
6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide has a molecular weight of 365.89 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide is sourced from PubChem (CID 133340874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).