4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide

C17H17N3O2 — CID 134788455

IUPAC4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N(C)C)nn2cccc12
InChIInChI=1S/C17H17N3O2/c1-19(2)17(21)14-11-13(15-8-6-10-20(15)18-14)12-7-4-5-9-16(12)22-3/h4-11H,1-3H3
InChIKeySXJICRCOPYAVNV-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.71
Rot. Bonds3

About 4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide

4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide (PubChem CID 134788455) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide
PubChem CID134788455
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N(C)C)nn2cccc12
InChIInChI=1S/C17H17N3O2/c1-19(2)17(21)14-11-13(15-8-6-10-20(15)18-14)12-7-4-5-9-16(12)22-3/h4-11H,1-3H3
InChIKeySXJICRCOPYAVNV-UHFFFAOYSA-N
XLogP2.71
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide
CID 129454151
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 16750094
1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128496
3-methoxy-N,N-dimethyl-4-(2-methylphenyl)benzamide
CID 144693423
N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42879366
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
ethane;N,N,5-trimethylpyrazolo[1,5-a]pyridine-2-carboxamide
CID 176934638
4-methoxy-N,N-dimethyl-3-phenylbenzamide
CID 49375903
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 95226525
2-formamido-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700179
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781320

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide (CID 134788455) is 4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide is COc1ccccc1-c1cc(C(=O)N(C)C)nn2cccc12.
What is the InChIKey of 4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is SXJICRCOPYAVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-19(2)17(21)14-11-13(15-8-6-10-20(15)18-14)12-7-4-5-9-16(12)22-3/h4-11H,1-3H3.
What are the key properties of 4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide?
4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 134788455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).