N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide

C21H19N3O2 — CID 122144147

IUPACN-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(c2ccccc2)C2Cc3ccccc3C2)ccc1=O
InChIInChI=1S/C21H19N3O2/c1-23-20(25)12-11-19(22-23)21(26)24(17-9-3-2-4-10-17)18-13-15-7-5-6-8-16(15)14-18/h2-12,18H,13-14H2,1H3
InChIKeyFPOPKLOBWHPOLE-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.59
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide (PubChem CID 122144147) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
PubChem CID122144147
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(c2ccccc2)C2Cc3ccccc3C2)ccc1=O
InChIInChI=1S/C21H19N3O2/c1-23-20(25)12-11-19(22-23)21(26)24(17-9-3-2-4-10-17)18-13-15-7-5-6-8-16(15)14-18/h2-12,18H,13-14H2,1H3
InChIKeyFPOPKLOBWHPOLE-UHFFFAOYSA-N
XLogP2.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide (CID 122144147) is N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide is Cn1nc(C(=O)N(c2ccccc2)C2Cc3ccccc3C2)ccc1=O.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide?
The InChIKey is FPOPKLOBWHPOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-23-20(25)12-11-19(22-23)21(26)24(17-9-3-2-4-10-17)18-13-15-7-5-6-8-16(15)14-18/h2-12,18H,13-14H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 122144147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).