6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide

C21H20N4O — CID 109118400

IUPAC6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(N3CCc4ccccc43)nn2)c1
InChIInChI=1S/C21H20N4O/c1-15-5-4-6-16(13-15)14-22-21(26)18-9-10-20(24-23-18)25-12-11-17-7-2-3-8-19(17)25/h2-10,13H,11-12,14H2,1H3,(H,22,26)
InChIKeyIEVLPAOAJTZIAX-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.41
Rot. Bonds4

About 6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide

6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109118400) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
PubChem CID109118400
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(N3CCc4ccccc43)nn2)c1
InChIInChI=1S/C21H20N4O/c1-15-5-4-6-16(13-15)14-22-21(26)18-9-10-20(24-23-18)25-12-11-17-7-2-3-8-19(17)25/h2-10,13H,11-12,14H2,1H3,(H,22,26)
InChIKeyIEVLPAOAJTZIAX-UHFFFAOYSA-N
XLogP3.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118401
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210211
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121417
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109368416
6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369066
6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109688
6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109127308
5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280543
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone
CID 109118280
4-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210448
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890188
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide
CID 109046889

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide (CID 109118400) is 6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide is Cc1cccc(CNC(=O)c2ccc(N3CCc4ccccc43)nn2)c1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is IEVLPAOAJTZIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-5-4-6-16(13-15)14-22-21(26)18-9-10-20(24-23-18)25-12-11-17-7-2-3-8-19(17)25/h2-10,13H,11-12,14H2,1H3,(H,22,26).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide?
6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109118400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).