1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide

C20H20N6O2 — CID 71018529

IUPAC1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
SMILESCc1nc(N)nc(N2CCc3cc(C(=O)NCc4ccccc4O)ccc32)n1
InChIInChI=1S/C20H20N6O2/c1-12-23-19(21)25-20(24-12)26-9-8-13-10-14(6-7-16(13)26)18(28)22-11-15-4-2-3-5-17(15)27/h2-7,10,27H,8-9,11H2,1H3,(H,22,28)(H2,21,23,24,25)
InChIKeyATXFKXRYBVMXRO-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.09
Rot. Bonds4

About 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide

1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 71018529) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
PubChem CID71018529
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
SMILESCc1nc(N)nc(N2CCc3cc(C(=O)NCc4ccccc4O)ccc32)n1
InChIInChI=1S/C20H20N6O2/c1-12-23-19(21)25-20(24-12)26-9-8-13-10-14(6-7-16(13)26)18(28)22-11-15-4-2-3-5-17(15)27/h2-7,10,27H,8-9,11H2,1H3,(H,22,28)(H2,21,23,24,25)
InChIKeyATXFKXRYBVMXRO-UHFFFAOYSA-N
XLogP2.09
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 59448209
2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[[2-chloro-4-(dimethylamino)phenyl]methyl]-1,3-dihydroisoindole-5-carboxamide
CID 25269072
2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328560
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109328917
1-methylsulfonyl-N-[[2-(phenoxymethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 46600123
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296
3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115610944
1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 55788815
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789985
1-methylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 9143473
N-[(6-methyl-2-pyridinyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 87041730
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328561

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide (CID 71018529) is 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide is Cc1nc(N)nc(N2CCc3cc(C(=O)NCc4ccccc4O)ccc32)n1.
What is the InChIKey of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is ATXFKXRYBVMXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-12-23-19(21)25-20(24-12)26-9-8-13-10-14(6-7-16(13)26)18(28)22-11-15-4-2-3-5-17(15)27/h2-7,10,27H,8-9,11H2,1H3,(H,22,28)(H2,21,23,24,25).
What are the key properties of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide?
1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 71018529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).