N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide

C19H25N3O2 — CID 166181653

IUPACN,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C19H25N3O2/c1-3-5-14-21(15-6-4-2)19(24)17-12-13-18(23)22(20-17)16-10-8-7-9-11-16/h7-13H,3-6,14-15H2,1-2H3
InChIKeyYSWLGLQSZYBAFU-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.27
Rot. Bonds8

About N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide

N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 166181653) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID166181653
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C19H25N3O2/c1-3-5-14-21(15-6-4-2)19(24)17-12-13-18(23)22(20-17)16-10-8-7-9-11-16/h7-13H,3-6,14-15H2,1-2H3
InChIKeyYSWLGLQSZYBAFU-UHFFFAOYSA-N
XLogP3.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 86859455
N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide
CID 78785110
N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 100676394
N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 134059029
N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31890180
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31899986
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31883996
3-[ethyl-[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 120516708
N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 78852401
1-(4-fluorophenyl)-6-oxo-N-(2-phenylethyl)-N-prop-2-enylpyridazine-3-carboxamide
CID 47082609

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide (CID 166181653) is N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide is CCCCN(CCCC)C(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is YSWLGLQSZYBAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-5-14-21(15-6-4-2)19(24)17-12-13-18(23)22(20-17)16-10-8-7-9-11-16/h7-13H,3-6,14-15H2,1-2H3.
What are the key properties of N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide?
N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 166181653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).