(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C21H29N3O — CID 97023855

IUPAC(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESC[C@@H]1CCc2[nH]c3c(C(=O)NCCCN4CCCC4)cccc3c2C1
InChIInChI=1S/C21H29N3O/c1-15-8-9-19-18(14-15)16-6-4-7-17(20(16)23-19)21(25)22-10-5-13-24-11-2-3-12-24/h4,6-7,15,23H,2-3,5,8-14H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyWPVVWDQMAMJDTP-OAHLLOKOSA-N
MW339.48 g/mol
LogP3.51
Rot. Bonds5

About (6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 97023855) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is (6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID97023855
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESC[C@@H]1CCc2[nH]c3c(C(=O)NCCCN4CCCC4)cccc3c2C1
InChIInChI=1S/C21H29N3O/c1-15-8-9-19-18(14-15)16-6-4-7-17(20(16)23-19)21(25)22-10-5-13-24-11-2-3-12-24/h4,6-7,15,23H,2-3,5,8-14H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyWPVVWDQMAMJDTP-OAHLLOKOSA-N
XLogP3.51
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55814693
(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 94185005
(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 38012087
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
6-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55720593
ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate
CID 95253356
N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55811546
6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523381
(6R)-6-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 52535773
(6R)-N-[(2S)-5-hydroxypentan-2-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97321534
6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 71685691
N-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46430192

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of (6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 97023855) is (6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for (6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for (6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is C[C@@H]1CCc2[nH]c3c(C(=O)NCCCN4CCCC4)cccc3c2C1.
What is the InChIKey of (6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is WPVVWDQMAMJDTP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H29N3O/c1-15-8-9-19-18(14-15)16-6-4-7-17(20(16)23-19)21(25)22-10-5-13-24-11-2-3-12-24/h4,6-7,15,23H,2-3,5,8-14H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of (6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 97023855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).