N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide

C16H19N3O2 — CID 17433866

IUPACN'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3
InChIInChI=1S/C16H19N3O2/c1-9-3-5-14-12(7-9)13-8-11(4-6-15(13)17-14)16(21)19-18-10(2)20/h4,6,8-9,17H,3,5,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVIQDMTROEAZYQX-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.07
Rot. Bonds1

About N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide

N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide (PubChem CID 17433866) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
PubChem CID17433866
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3
InChIInChI=1S/C16H19N3O2/c1-9-3-5-14-12(7-9)13-8-11(4-6-15(13)17-14)16(21)19-18-10(2)20/h4,6,8-9,17H,3,5,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVIQDMTROEAZYQX-UHFFFAOYSA-N
XLogP2.07
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 92516183
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
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
methyl 3-[[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoate
CID 30805049
(6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41376896
(6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 40896802
N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 42909167
(6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2527812
N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 43008935

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
The IUPAC name of N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide (CID 17433866) is N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide.
What is the SMILES notation for N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
The canonical SMILES for N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide is CC(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3.
What is the InChIKey of N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
The InChIKey is VIQDMTROEAZYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9-3-5-14-12(7-9)13-8-11(4-6-15(13)17-14)16(21)19-18-10(2)20/h4,6,8-9,17H,3,5,7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide has a molecular weight of 285.35 g/mol, XLogP of 2.07, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide is sourced from PubChem (CID 17433866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).