N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide

C15H19N5OS — CID 97340602

IUPACN-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC[C@@H](c3nccs3)C2)nn1
InChIInChI=1S/C15H19N5OS/c1-2-16-14(21)12-5-6-13(19-18-12)20-8-3-4-11(10-20)15-17-7-9-22-15/h5-7,9,11H,2-4,8,10H2,1H3,(H,16,21)/t11-/m1/s1
InChIKeyYTKQNAVIOFECCN-LLVKDONJSA-N
MW317.42 g/mol
LogP2.07
Rot. Bonds4

About N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide

N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 97340602) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide
PubChem CID97340602
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC[C@@H](c3nccs3)C2)nn1
InChIInChI=1S/C15H19N5OS/c1-2-16-14(21)12-5-6-13(19-18-12)20-8-3-4-11(10-20)15-17-7-9-22-15/h5-7,9,11H,2-4,8,10H2,1H3,(H,16,21)/t11-/m1/s1
InChIKeyYTKQNAVIOFECCN-LLVKDONJSA-N
XLogP2.07
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide
CID 97099971
N-ethyl-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113254513
N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113282123
methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate
CID 133469455
N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide
CID 97326064
1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone
CID 97340593
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
4-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133469453
N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133343097
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol
CID 110932618

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide (CID 97340602) is N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide is CCNC(=O)c1ccc(N2CCC[C@@H](c3nccs3)C2)nn1.
What is the InChIKey of N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is YTKQNAVIOFECCN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-2-16-14(21)12-5-6-13(19-18-12)20-8-3-4-11(10-20)15-17-7-9-22-15/h5-7,9,11H,2-4,8,10H2,1H3,(H,16,21)/t11-/m1/s1.
What are the key properties of N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide?
N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 97340602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).