N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide

C19H24N4O — CID 109121746

IUPACN-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(N2CCc3ccccc3C2)nn1
InChIInChI=1S/C19H24N4O/c1-3-4-12-22(2)19(24)17-9-10-18(21-20-17)23-13-11-15-7-5-6-8-16(15)14-23/h5-10H,3-4,11-14H2,1-2H3
InChIKeyDVRKBLXHPBMKLE-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.91
Rot. Bonds5

About N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide

N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide (PubChem CID 109121746) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide
PubChem CID109121746
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(N2CCc3ccccc3C2)nn1
InChIInChI=1S/C19H24N4O/c1-3-4-12-22(2)19(24)17-9-10-18(21-20-17)23-13-11-15-7-5-6-8-16(15)14-23/h5-10H,3-4,11-14H2,1-2H3
InChIKeyDVRKBLXHPBMKLE-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116180
N-butyl-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989143
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116317
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
CID 109124073
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113344
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109121762
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119535
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109121734
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118828
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109121757
N-butyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-2-carboxamide
CID 109195041
N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109340038

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide (CID 109121746) is N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide is CCCCN(C)C(=O)c1ccc(N2CCc3ccccc3C2)nn1.
What is the InChIKey of N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide?
The InChIKey is DVRKBLXHPBMKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-4-12-22(2)19(24)17-9-10-18(21-20-17)23-13-11-15-7-5-6-8-16(15)14-23/h5-10H,3-4,11-14H2,1-2H3.
What are the key properties of N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide?
N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 109121746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).