6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C16H19N3O2 — CID 110793378

IUPAC6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCc2ccc3c(c2)CCCC3)=NN1
InChIInChI=1S/C16H19N3O2/c20-15-8-7-14(18-19-15)16(21)17-10-11-5-6-12-3-1-2-4-13(12)9-11/h5-6,9H,1-4,7-8,10H2,(H,17,21)(H,19,20)
InChIKeyJDJBMZYLCNPBET-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.45
Rot. Bonds3

About 6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110793378) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110793378
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCc2ccc3c(c2)CCCC3)=NN1
InChIInChI=1S/C16H19N3O2/c20-15-8-7-14(18-19-15)16(21)17-10-11-5-6-12-3-1-2-4-13(12)9-11/h5-6,9H,1-4,7-8,10H2,(H,17,21)(H,19,20)
InChIKeyJDJBMZYLCNPBET-UHFFFAOYSA-N
XLogP1.45
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793824
N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3291050
6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397681
6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110746339
N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110794021
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795908
N-[(2-fluorophenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 8870756
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113223204
N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115636652
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110779703
N-[(4-methylphenyl)methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467740
N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793485

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110793378) is 6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCc2ccc3c(c2)CCCC3)=NN1.
What is the InChIKey of 6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is JDJBMZYLCNPBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15-8-7-14(18-19-15)16(21)17-10-11-5-6-12-3-1-2-4-13(12)9-11/h5-6,9H,1-4,7-8,10H2,(H,17,21)(H,19,20).
What are the key properties of 6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110793378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).