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

C20H24N4O — CID 94185005

IUPAC(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESC[C@H]1CCc2[nH]c3c(C(=O)NCCCn4ccnc4)cccc3c2C1
InChIInChI=1S/C20H24N4O/c1-14-6-7-18-17(12-14)15-4-2-5-16(19(15)23-18)20(25)22-8-3-10-24-11-9-21-13-24/h2,4-5,9,11,13-14,23H,3,6-8,10,12H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyRKXCVYMOPIBSMC-AWEZNQCLSA-N
MW336.44 g/mol
LogP3.31
Rot. Bonds5

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

(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 94185005) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID94185005
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESC[C@H]1CCc2[nH]c3c(C(=O)NCCCn4ccnc4)cccc3c2C1
InChIInChI=1S/C20H24N4O/c1-14-6-7-18-17(12-14)15-4-2-5-16(19(15)23-18)20(25)22-8-3-10-24-11-9-21-13-24/h2,4-5,9,11,13-14,23H,3,6-8,10,12H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyRKXCVYMOPIBSMC-AWEZNQCLSA-N
XLogP3.31
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97023855
(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 36922905
(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 38012087
6-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55720593
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate
CID 95253356
6-methyl-N-pyridin-3-yl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46437559
(6R)-6-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 52535773
6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523381
N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55814693
(6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 95139505
(6R)-N-[(2S)-5-hydroxypentan-2-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97321534

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 94185005) is (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is C[C@H]1CCc2[nH]c3c(C(=O)NCCCn4ccnc4)cccc3c2C1.
What is the InChIKey of (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is RKXCVYMOPIBSMC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-6-7-18-17(12-14)15-4-2-5-16(19(15)23-18)20(25)22-8-3-10-24-11-9-21-13-24/h2,4-5,9,11,13-14,23H,3,6-8,10,12H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 94185005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).