5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide

C22H21N3O2 — CID 125432343

IUPAC5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)cc2c1
InChIInChI=1S/C22H21N3O2/c1-27-14-9-10-17-13(11-14)12-20(23-17)22(26)25-19-8-4-6-16-15-5-2-3-7-18(15)24-21(16)19/h2-3,5,7,9-12,19,23-24H,4,6,8H2,1H3,(H,25,26)/t19-/m1/s1
InChIKeyNTPTZSXZACMOQZ-LJQANCHMSA-N
MW359.43 g/mol
LogP4.47
Rot. Bonds3

About 5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide

5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide (PubChem CID 125432343) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide
PubChem CID125432343
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)cc2c1
InChIInChI=1S/C22H21N3O2/c1-27-14-9-10-17-13(11-14)12-20(23-17)22(26)25-19-8-4-6-16-15-5-2-3-7-18(15)24-21(16)19/h2-3,5,7,9-12,19,23-24H,4,6,8H2,1H3,(H,25,26)/t19-/m1/s1
InChIKeyNTPTZSXZACMOQZ-LJQANCHMSA-N
XLogP4.47
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.47
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

4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
CID 110208093
4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
CID 121239141
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide
CID 75490269
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
1-benzyl-3-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]urea
CID 125122907
N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide
CID 124877959
6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide
CID 125121929
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 99995344
1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea
CID 125122227
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(tetrazol-1-yl)benzamide
CID 91820905

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide (CID 125432343) is 5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)cc2c1.
What is the InChIKey of 5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide?
The InChIKey is NTPTZSXZACMOQZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-27-14-9-10-17-13(11-14)12-20(23-17)22(26)25-19-8-4-6-16-15-5-2-3-7-18(15)24-21(16)19/h2-3,5,7,9-12,19,23-24H,4,6,8H2,1H3,(H,25,26)/t19-/m1/s1.
What are the key properties of 5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide?
5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 125432343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).