(1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C20H25N3O2 — CID 125131325

IUPAC(1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCc1n[nH]c(=O)c(CNC(=O)[C@@H]2CCCc3ccccc32)c1CC
InChIInChI=1S/C20H25N3O2/c1-3-14-17(20(25)23-22-18(14)4-2)12-21-19(24)16-11-7-9-13-8-5-6-10-15(13)16/h5-6,8,10,16H,3-4,7,9,11-12H2,1-2H3,(H,21,24)(H,23,25)/t16-/m1/s1
InChIKeyDSRXLJSPLHFRFR-MRXNPFEDSA-N
MW339.44 g/mol
LogP2.63
Rot. Bonds5

About (1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 125131325) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID125131325
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCc1n[nH]c(=O)c(CNC(=O)[C@@H]2CCCc3ccccc32)c1CC
InChIInChI=1S/C20H25N3O2/c1-3-14-17(20(25)23-22-18(14)4-2)12-21-19(24)16-11-7-9-13-8-5-6-10-15(13)16/h5-6,8,10,16H,3-4,7,9,11-12H2,1-2H3,(H,21,24)(H,23,25)/t16-/m1/s1
InChIKeyDSRXLJSPLHFRFR-MRXNPFEDSA-N
XLogP2.63
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113492689
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 166212514
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55715034
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711
N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113496484
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55558860
N-(3-bromo-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114313424
N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 81484388
(1S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51953637
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
N-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61150664

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 125131325) is (1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCc1n[nH]c(=O)c(CNC(=O)[C@@H]2CCCc3ccccc32)c1CC.
What is the InChIKey of (1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is DSRXLJSPLHFRFR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-14-17(20(25)23-22-18(14)4-2)12-21-19(24)16-11-7-9-13-8-5-6-10-15(13)16/h5-6,8,10,16H,3-4,7,9,11-12H2,1-2H3,(H,21,24)(H,23,25)/t16-/m1/s1.
What are the key properties of (1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 125131325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).