2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane

C19H29N3O2 — CID 170749039

IUPAC2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane
SMILESCCC.CCc1ccc2c(C(CCC=O)C(=O)NC)nn(C)c2c1
InChIInChI=1S/C16H21N3O2.C3H8/c1-4-11-7-8-12-14(10-11)19(3)18-15(12)13(6-5-9-20)16(21)17-2;1-3-2/h7-10,13H,4-6H2,1-3H3,(H,17,21);3H2,1-2H3
InChIKeyNMFDAJXKPHMYAR-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.36
Rot. Bonds6

About 2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane

2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane (PubChem CID 170749039) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane.

Molecular Properties

Compound Name2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane
PubChem CID170749039
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane
SMILESCCC.CCc1ccc2c(C(CCC=O)C(=O)NC)nn(C)c2c1
InChIInChI=1S/C16H21N3O2.C3H8/c1-4-11-7-8-12-14(10-11)19(3)18-15(12)13(6-5-9-20)16(21)17-2;1-3-2/h7-10,13H,4-6H2,1-3H3,(H,17,21);3H2,1-2H3
InChIKeyNMFDAJXKPHMYAR-UHFFFAOYSA-N
XLogP3.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[1-[1-methyl-3-[1-(methylamino)-1-oxohex-5-en-2-yl]indazol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 178161043
6-ethyl-1-methylindazol-3-amine
CID 67124935
4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane
CID 176947846
3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea
CID 177155731
N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide
CID 171820990
methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate
CID 84786637
1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103126508
N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide
CID 155574497
2-ethyl-N-methyl-5-oxopentanamide
CID 145371597
3-(3-chloro-1-methylindazol-5-yl)propanal
CID 117318873
3-(1-fluoroethyl)-1-methylindazole-6-carboxylic acid
CID 84687432
6-amino-N,1-dimethylindazole-3-carboxamide
CID 59335057

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane?
The IUPAC name of 2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane (CID 170749039) is 2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane.
What is the SMILES notation for 2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane?
The canonical SMILES for 2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane is CCC.CCc1ccc2c(C(CCC=O)C(=O)NC)nn(C)c2c1.
What is the InChIKey of 2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane?
The InChIKey is NMFDAJXKPHMYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.C3H8/c1-4-11-7-8-12-14(10-11)19(3)18-15(12)13(6-5-9-20)16(21)17-2;1-3-2/h7-10,13H,4-6H2,1-3H3,(H,17,21);3H2,1-2H3.
What are the key properties of 2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane?
2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane has a molecular weight of 331.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane is sourced from PubChem (CID 170749039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).