N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

C22H21N3O2 — CID 15952932

IUPACN-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc5c(c4)CCC5)cc3c21
InChIInChI=1S/C22H21N3O2/c1-12-11-23-22(27)20-19(12)17-10-15(6-8-18(17)25-20)21(26)24-16-7-5-13-3-2-4-14(13)9-16/h5-10,12,25H,2-4,11H2,1H3,(H,23,27)(H,24,26)
InChIKeyAYNCBXGNRVJARG-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.76
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 15952932) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
PubChem CID15952932
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc5c(c4)CCC5)cc3c21
InChIInChI=1S/C22H21N3O2/c1-12-11-23-22(27)20-19(12)17-10-15(6-8-18(17)25-20)21(26)24-16-7-5-13-3-2-4-14(13)9-16/h5-10,12,25H,2-4,11H2,1H3,(H,23,27)(H,24,26)
InChIKeyAYNCBXGNRVJARG-UHFFFAOYSA-N
XLogP3.76
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 46851093
4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15952933
N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 58768545
N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951673
N-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15952249
ethyl 3-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate
CID 15951678
N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide
CID 15951772
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
methyl 4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrido[4,3-b]indole-8-carbonyl)amino]benzoate
CID 58768502
N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide
CID 36542028
4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
CID 140896281

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 15952932) is N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc5c(c4)CCC5)cc3c21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The InChIKey is AYNCBXGNRVJARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-12-11-23-22(27)20-19(12)17-10-15(6-8-18(17)25-20)21(26)24-16-7-5-13-3-2-4-14(13)9-16/h5-10,12,25H,2-4,11H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.76, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 15952932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).