6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide

C18H21N3O2 — CID 108793483

IUPAC6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(=O)[nH]n1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H21N3O2/c1-2-15(19-18(23)16-9-10-17(22)21-20-16)14-8-7-12-5-3-4-6-13(12)11-14/h7-11,15H,2-6H2,1H3,(H,19,23)(H,21,22)
InChIKeyLOXQNLXSVQHYFM-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.53
Rot. Bonds4

About 6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide (PubChem CID 108793483) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide
PubChem CID108793483
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(=O)[nH]n1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H21N3O2/c1-2-15(19-18(23)16-9-10-17(22)21-20-16)14-8-7-12-5-3-4-6-13(12)11-14/h7-11,15H,2-6H2,1H3,(H,19,23)(H,21,22)
InChIKeyLOXQNLXSVQHYFM-UHFFFAOYSA-N
XLogP2.53
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyrazine-2-carboxamide
CID 108796805
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1,3-dihydroindole-5-carboxamide
CID 108784618
N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95346590
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705656
4-propan-2-yloxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191484
4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191284
1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108893816
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
N-[1-(3,4-dimethoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 133231412
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide
CID 108791427

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide (CID 108793483) is 6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide is CCC(NC(=O)c1ccc(=O)[nH]n1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide?
The InChIKey is LOXQNLXSVQHYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-15(19-18(23)16-9-10-17(22)21-20-16)14-8-7-12-5-3-4-6-13(12)11-14/h7-11,15H,2-6H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108793483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).