(6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C21H23N3O — CID 41376896

IUPAC(6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@H](C)c4ccncc4)cc3c2C1
InChIInChI=1S/C21H23N3O/c1-13-3-5-19-17(11-13)18-12-16(4-6-20(18)24-19)21(25)23-14(2)15-7-9-22-10-8-15/h4,6-10,12-14,24H,3,5,11H2,1-2H3,(H,23,25)/t13-,14-/m1/s1
InChIKeySXDSDHWPRXRBKN-ZIAGYGMSSA-N
MW333.44 g/mol
LogP4.18
Rot. Bonds3

About (6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

(6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 41376896) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name(6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID41376896
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@H](C)c4ccncc4)cc3c2C1
InChIInChI=1S/C21H23N3O/c1-13-3-5-19-17(11-13)18-12-16(4-6-20(18)24-19)21(25)23-14(2)15-7-9-22-10-8-15/h4,6-10,12-14,24H,3,5,11H2,1-2H3,(H,23,25)/t13-,14-/m1/s1
InChIKeySXDSDHWPRXRBKN-ZIAGYGMSSA-N
XLogP4.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
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'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 17433866
(6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2527812
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
methyl 4-methyl-2-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]pentanoate
CID 18284651
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 92516183
methyl 3-[[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoate
CID 30805049
N-[(1,1-dioxothietan-3-yl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 154765988
6-methyl-N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 4786373
N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 43008935
(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 36922905

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of (6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 41376896) is (6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for (6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for (6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is C[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@H](C)c4ccncc4)cc3c2C1.
What is the InChIKey of (6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is SXDSDHWPRXRBKN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C21H23N3O/c1-13-3-5-19-17(11-13)18-12-16(4-6-20(18)24-19)21(25)23-14(2)15-7-9-22-10-8-15/h4,6-10,12-14,24H,3,5,11H2,1-2H3,(H,23,25)/t13-,14-/m1/s1.
What are the key properties of (6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
(6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 41376896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).