6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide

C17H22N6O3 — CID 136551032

IUPAC6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCc2ccc(NC(=O)Cn3nc(C)n(C)c3=O)cc21
InChIInChI=1S/C17H22N6O3/c1-4-18-16(25)22-8-7-12-5-6-13(9-14(12)22)19-15(24)10-23-17(26)21(3)11(2)20-23/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,25)(H,19,24)
InChIKeyMDXBZDBSLKDZJO-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.62
Rot. Bonds4

About 6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide

6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide (PubChem CID 136551032) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide
PubChem CID136551032
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCc2ccc(NC(=O)Cn3nc(C)n(C)c3=O)cc21
InChIInChI=1S/C17H22N6O3/c1-4-18-16(25)22-8-7-12-5-6-13(9-14(12)22)19-15(24)10-23-17(26)21(3)11(2)20-23/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,25)(H,19,24)
InChIKeyMDXBZDBSLKDZJO-UHFFFAOYSA-N
XLogP0.62
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide with MolForge

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Related Compounds

N-ethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]-2,3-dihydroindole-1-carboxamide;hydrochloride
CID 119801398
2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-8-yl)acetamide
CID 139022069
6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814
1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085501
N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride
CID 120934757
N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide
CID 167746332
N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide
CID 75407752
(7R)-N-[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 97028925
6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride
CID 119333739
2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 166241451
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
CID 154751837
N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide
CID 121116993

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide (CID 136551032) is 6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide is CCNC(=O)N1CCc2ccc(NC(=O)Cn3nc(C)n(C)c3=O)cc21.
What is the InChIKey of 6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is MDXBZDBSLKDZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-4-18-16(25)22-8-7-12-5-6-13(9-14(12)22)19-15(24)10-23-17(26)21(3)11(2)20-23/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,25)(H,19,24).
What are the key properties of 6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide?
6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-N-ethyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 136551032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).