5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide

C20H22N4O3 — CID 167762306

IUPAC5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cc(C(=O)NC2CN(C(=O)C3(C)CCc4ccccc43)C2)n[nH]c1=O
InChIInChI=1S/C20H22N4O3/c1-12-9-16(22-23-17(12)25)18(26)21-14-10-24(11-14)19(27)20(2)8-7-13-5-3-4-6-15(13)20/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyYAKRXNFYEFLPCR-UHFFFAOYSA-N
MW366.42 g/mol
LogP0.92
Rot. Bonds3

About 5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide

5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 167762306) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID167762306
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cc(C(=O)NC2CN(C(=O)C3(C)CCc4ccccc43)C2)n[nH]c1=O
InChIInChI=1S/C20H22N4O3/c1-12-9-16(22-23-17(12)25)18(26)21-14-10-24(11-14)19(27)20(2)8-7-13-5-3-4-6-15(13)20/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyYAKRXNFYEFLPCR-UHFFFAOYSA-N
XLogP0.92
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 120657959
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 90967948
(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 110921317
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
(1R)-N-hydroxy-1-methyl-2,3-dihydroindene-1-carboxamide
CID 129027598
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 119621878
5-(furan-2-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95985082
5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 110484336
1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid
CID 124698143
1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 119449830
5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide
CID 55551440
4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide
CID 97051904

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 167762306) is 5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1cc(C(=O)NC2CN(C(=O)C3(C)CCc4ccccc43)C2)n[nH]c1=O.
What is the InChIKey of 5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is YAKRXNFYEFLPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-9-16(22-23-17(12)25)18(26)21-14-10-24(11-14)19(27)20(2)8-7-13-5-3-4-6-15(13)20/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of 5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(1-methyl-2,3-dihydroindene-1-carbonyl)azetidin-3-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 167762306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).