(6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C21H27N3O2 — CID 9119789

IUPAC(6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC[C@H]1CCc2[nH]c3ccc(C(=O)NCCCN4CCCC4=O)cc3c2C1
InChIInChI=1S/C21H27N3O2/c1-14-5-7-18-16(12-14)17-13-15(6-8-19(17)23-18)21(26)22-9-3-11-24-10-2-4-20(24)25/h6,8,13-14,23H,2-5,7,9-12H2,1H3,(H,22,26)/t14-/m0/s1
InChIKeySKXXPYMVYPVBBG-AWEZNQCLSA-N
MW353.47 g/mol
LogP3.04
Rot. Bonds5

About (6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

(6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 9119789) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name(6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID9119789
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC[C@H]1CCc2[nH]c3ccc(C(=O)NCCCN4CCCC4=O)cc3c2C1
InChIInChI=1S/C21H27N3O2/c1-14-5-7-18-16(12-14)17-13-15(6-8-19(17)23-18)21(26)22-9-3-11-24-10-2-4-20(24)25/h6,8,13-14,23H,2-5,7,9-12H2,1H3,(H,22,26)/t14-/m0/s1
InChIKeySKXXPYMVYPVBBG-AWEZNQCLSA-N
XLogP3.04
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.04
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

6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 36922905
N-[(1,1-dioxothietan-3-yl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 154765988
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2114335
(6S)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2479992
(6S)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26447575
N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 35377516
(6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 40896802
3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of (6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 9119789) is (6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for (6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for (6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is C[C@H]1CCc2[nH]c3ccc(C(=O)NCCCN4CCCC4=O)cc3c2C1.
What is the InChIKey of (6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is SKXXPYMVYPVBBG-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-5-7-18-16(12-14)17-13-15(6-8-19(17)23-18)21(26)22-9-3-11-24-10-2-4-20(24)25/h6,8,13-14,23H,2-5,7,9-12H2,1H3,(H,22,26)/t14-/m0/s1.
What are the key properties of (6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
(6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 9119789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).