N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide

C21H21N5O2 — CID 51499002

IUPACN-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide
SMILESCC(=O)N1c2ccc(NC(=O)c3nnn(-c4ccccc4)c3C)cc2C[C@@H]1C
InChIInChI=1S/C21H21N5O2/c1-13-11-16-12-17(9-10-19(16)25(13)15(3)27)22-21(28)20-14(2)26(24-23-20)18-7-5-4-6-8-18/h4-10,12-13H,11H2,1-3H3,(H,22,28)/t13-/m0/s1
InChIKeyMMBWAMSIIFVPKN-ZDUSSCGKSA-N
MW375.43 g/mol
LogP3.13
Rot. Bonds3

About N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide

N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide (PubChem CID 51499002) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide
PubChem CID51499002
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide
SMILESCC(=O)N1c2ccc(NC(=O)c3nnn(-c4ccccc4)c3C)cc2C[C@@H]1C
InChIInChI=1S/C21H21N5O2/c1-13-11-16-12-17(9-10-19(16)25(13)15(3)27)22-21(28)20-14(2)26(24-23-20)18-7-5-4-6-8-18/h4-10,12-13H,11H2,1-3H3,(H,22,28)/t13-/m0/s1
InChIKeyMMBWAMSIIFVPKN-ZDUSSCGKSA-N
XLogP3.13
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24825148
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CID 15944104
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide
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5-methyl-1-(3-methylphenyl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)triazole-4-carboxamide
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CID 51496042
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 51498960
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CID 170151207
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CID 86901240
N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 51498965
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide (CID 51499002) is N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide is CC(=O)N1c2ccc(NC(=O)c3nnn(-c4ccccc4)c3C)cc2C[C@@H]1C.
What is the InChIKey of N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide?
The InChIKey is MMBWAMSIIFVPKN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-11-16-12-17(9-10-19(16)25(13)15(3)27)22-21(28)20-14(2)26(24-23-20)18-7-5-4-6-8-18/h4-10,12-13H,11H2,1-3H3,(H,22,28)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide?
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 51499002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).