methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate

C21H18N4O3 — CID 109127345

IUPACmethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(N3CCc4ccccc43)nn2)cc1
InChIInChI=1S/C21H18N4O3/c1-28-21(27)15-6-8-16(9-7-15)22-20(26)17-10-11-19(24-23-17)25-13-12-14-4-2-3-5-18(14)25/h2-11H,12-13H2,1H3,(H,22,26)
InChIKeyIXAFPJKFRCRCPL-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.21
Rot. Bonds4

About methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate

methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate (PubChem CID 109127345) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate
PubChem CID109127345
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Namemethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(N3CCc4ccccc43)nn2)cc1
InChIInChI=1S/C21H18N4O3/c1-28-21(27)15-6-8-16(9-7-15)22-20(26)17-10-11-19(24-23-17)25-13-12-14-4-2-3-5-18(14)25/h2-11H,12-13H2,1H3,(H,22,26)
InChIKeyIXAFPJKFRCRCPL-UHFFFAOYSA-N
XLogP3.21
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109127308
6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109688
N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide
CID 109127449
6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109356545
5-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109290512
6-(2,3-dihydroindol-1-yl)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 84574227
5-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109290486
methyl 4-[[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carbonyl]amino]benzoate
CID 109123556
6-(2,3-dihydroindol-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847953
methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate
CID 61041834
N-(3-chloro-4-methylphenyl)-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109162396
6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118400

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate (CID 109127345) is methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(N3CCc4ccccc43)nn2)cc1.
What is the InChIKey of methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate?
The InChIKey is IXAFPJKFRCRCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-28-21(27)15-6-8-16(9-7-15)22-20(26)17-10-11-19(24-23-17)25-13-12-14-4-2-3-5-18(14)25/h2-11H,12-13H2,1H3,(H,22,26).
What are the key properties of methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate?
methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate has a molecular weight of 374.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109127345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).