6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide

C16H18N4O — CID 109109688

IUPAC6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(N2CCc3ccccc32)nn1
InChIInChI=1S/C16H18N4O/c1-11(2)17-16(21)13-7-8-15(19-18-13)20-10-9-12-5-3-4-6-14(12)20/h3-8,11H,9-10H2,1-2H3,(H,17,21)
InChIKeyJWYQUMVCKNERDU-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.31
Rot. Bonds3

About 6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide

6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 109109688) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID109109688
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(N2CCc3ccccc32)nn1
InChIInChI=1S/C16H18N4O/c1-11(2)17-16(21)13-7-8-15(19-18-13)20-10-9-12-5-3-4-6-14(12)20/h3-8,11H,9-10H2,1-2H3,(H,17,21)
InChIKeyJWYQUMVCKNERDU-UHFFFAOYSA-N
XLogP2.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360664
methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate
CID 109127345
6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109127308
6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118400
N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide
CID 109127449
[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111976
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121417
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118401
N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113046101
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 109122860
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118828

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide (CID 109109688) is 6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide is CC(C)NC(=O)c1ccc(N2CCc3ccccc32)nn1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is JWYQUMVCKNERDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11(2)17-16(21)13-7-8-15(19-18-13)20-10-9-12-5-3-4-6-14(12)20/h3-8,11H,9-10H2,1-2H3,(H,17,21).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide?
6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.31, 3 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-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109109688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).