(2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide

C15H19N5O — CID 94120119

IUPAC(2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide
SMILESC[C@@H](NC(=O)N1c2ccccc2C[C@@H]1C)c1nncn1C
InChIInChI=1S/C15H19N5O/c1-10-8-12-6-4-5-7-13(12)20(10)15(21)17-11(2)14-18-16-9-19(14)3/h4-7,9-11H,8H2,1-3H3,(H,17,21)/t10-,11+/m0/s1
InChIKeyCKRNDKAFNNSGFY-WDEREUQCSA-N
MW285.35 g/mol
LogP2.04
Rot. Bonds2

About (2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide

(2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 94120119) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide
PubChem CID94120119
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide
SMILESC[C@@H](NC(=O)N1c2ccccc2C[C@@H]1C)c1nncn1C
InChIInChI=1S/C15H19N5O/c1-10-8-12-6-4-5-7-13(12)20(10)15(21)17-11(2)14-18-16-9-19(14)3/h4-7,9-11H,8H2,1-3H3,(H,17,21)/t10-,11+/m0/s1
InChIKeyCKRNDKAFNNSGFY-WDEREUQCSA-N
XLogP2.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide with MolForge

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Related Compounds

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 53498267
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2335734
(2S)-4-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpiperazine-1-carboxamide
CID 97312001
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
2-methyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991651
2-methyl-N-(1-methylindol-3-yl)-2,3-dihydroindole-1-carboxamide
CID 18582333
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 94120064
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 42123563
2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 54878197
N-(2-ethylphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108991479
(2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide
CID 104897284

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of (2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide (CID 94120119) is (2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide is C[C@@H](NC(=O)N1c2ccccc2C[C@@H]1C)c1nncn1C.
What is the InChIKey of (2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is CKRNDKAFNNSGFY-WDEREUQCSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-8-12-6-4-5-7-13(12)20(10)15(21)17-11(2)14-18-16-9-19(14)3/h4-7,9-11H,8H2,1-3H3,(H,17,21)/t10-,11+/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide?
(2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 94120119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).