6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide

C18H23N5O — CID 97099971

IUPAC6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC[C@H](Nc3ccccc3)C2)nn1
InChIInChI=1S/C18H23N5O/c1-2-19-18(24)16-10-11-17(22-21-16)23-12-6-9-15(13-23)20-14-7-4-3-5-8-14/h3-5,7-8,10-11,15,20H,2,6,9,12-13H2,1H3,(H,19,24)/t15-/m0/s1
InChIKeySUNLZHQKDXMLLS-HNNXBMFYSA-N
MW325.42 g/mol
LogP2.31
Rot. Bonds5

About 6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide

6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide (PubChem CID 97099971) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide
PubChem CID97099971
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC[C@H](Nc3ccccc3)C2)nn1
InChIInChI=1S/C18H23N5O/c1-2-19-18(24)16-10-11-17(22-21-16)23-12-6-9-15(13-23)20-14-7-4-3-5-8-14/h3-5,7-8,10-11,15,20H,2,6,9,12-13H2,1H3,(H,19,24)/t15-/m0/s1
InChIKeySUNLZHQKDXMLLS-HNNXBMFYSA-N
XLogP2.31
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113282123
methyl 6-[(3S)-3-anilinopyrrolidin-1-yl]pyridazine-3-carboxylate
CID 96524339
N-ethyl-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113254513
N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide
CID 97340602
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide
CID 97326064
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054364
6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133363865
N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide
CID 129330963
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
N-(2-ethoxyphenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109125972

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide?
The IUPAC name of 6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide (CID 97099971) is 6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide is CCNC(=O)c1ccc(N2CCC[C@H](Nc3ccccc3)C2)nn1.
What is the InChIKey of 6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide?
The InChIKey is SUNLZHQKDXMLLS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-19-18(24)16-10-11-17(22-21-16)23-12-6-9-15(13-23)20-14-7-4-3-5-8-14/h3-5,7-8,10-11,15,20H,2,6,9,12-13H2,1H3,(H,19,24)/t15-/m0/s1.
What are the key properties of 6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide?
6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide is sourced from PubChem (CID 97099971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).