3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide

C18H19N5O — CID 136530773

IUPAC3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1cccc(-c2nccn2C)c1
InChIInChI=1S/C18H19N5O/c1-4-16-15(10-12(2)21-22-16)18(24)20-14-7-5-6-13(11-14)17-19-8-9-23(17)3/h5-11H,4H2,1-3H3,(H,20,24)
InChIKeyBMOMWUYVBRUKKA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.00
Rot. Bonds4

About 3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide

3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide (PubChem CID 136530773) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide
PubChem CID136530773
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1cccc(-c2nccn2C)c1
InChIInChI=1S/C18H19N5O/c1-4-16-15(10-12(2)21-22-16)18(24)20-14-7-5-6-13(11-14)17-19-8-9-23(17)3/h5-11H,4H2,1-3H3,(H,20,24)
InChIKeyBMOMWUYVBRUKKA-UHFFFAOYSA-N
XLogP3.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1-methylimidazol-2-yl)phenyl]furan-2-carboxamide
CID 136578540
5-fluoro-2-methoxy-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
CID 136578547
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
3-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 167916723
1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111453463
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 60557169
N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669073
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 71992331
2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
CID 60557057
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326
5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60557129

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide (CID 136530773) is 3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1cccc(-c2nccn2C)c1.
What is the InChIKey of 3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide?
The InChIKey is BMOMWUYVBRUKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-4-16-15(10-12(2)21-22-16)18(24)20-14-7-5-6-13(11-14)17-19-8-9-23(17)3/h5-11H,4H2,1-3H3,(H,20,24).
What are the key properties of 3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide?
3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 136530773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).