N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide

C19H17N5O2 — CID 122140644

IUPACN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
SMILESCc1nc(-c2ccc(NC(=O)Cc3ccc4c(c3)NC(=O)C4)cc2)n[nH]1
InChIInChI=1S/C19H17N5O2/c1-11-20-19(24-23-11)13-4-6-15(7-5-13)21-17(25)9-12-2-3-14-10-18(26)22-16(14)8-12/h2-8H,9-10H2,1H3,(H,21,25)(H,22,26)(H,20,23,24)
InChIKeyNKTOZGPHLZTEOU-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.46
Rot. Bonds4

About N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide

N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide (PubChem CID 122140644) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
PubChem CID122140644
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
SMILESCc1nc(-c2ccc(NC(=O)Cc3ccc4c(c3)NC(=O)C4)cc2)n[nH]1
InChIInChI=1S/C19H17N5O2/c1-11-20-19(24-23-11)13-4-6-15(7-5-13)21-17(25)9-12-2-3-14-10-18(26)22-16(14)8-12/h2-8H,9-10H2,1H3,(H,21,25)(H,22,26)(H,20,23,24)
InChIKeyNKTOZGPHLZTEOU-UHFFFAOYSA-N
XLogP2.46
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 136529868
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 154795458
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 49424297
N-[6-(diethylamino)-3-pyridinyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 75476917
N-[4-[2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 166252588
2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131930825
2-(2-oxo-1,3-dihydroindol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110768191
2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid
CID 2750259
1-amino-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide
CID 119311512
1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea
CID 165032229
N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9343920
2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 49423848

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
The IUPAC name of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide (CID 122140644) is N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide.
What is the SMILES notation for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
The canonical SMILES for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide is Cc1nc(-c2ccc(NC(=O)Cc3ccc4c(c3)NC(=O)C4)cc2)n[nH]1.
What is the InChIKey of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
The InChIKey is NKTOZGPHLZTEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11-20-19(24-23-11)13-4-6-15(7-5-13)21-17(25)9-12-2-3-14-10-18(26)22-16(14)8-12/h2-8H,9-10H2,1H3,(H,21,25)(H,22,26)(H,20,23,24).
What are the key properties of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide has a molecular weight of 347.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide is sourced from PubChem (CID 122140644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).