6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C17H22N2O — CID 18104801

IUPAC6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCCNC(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3
InChIInChI=1S/C17H22N2O/c1-3-8-18-17(20)12-5-7-16-14(10-12)13-9-11(2)4-6-15(13)19-16/h5,7,10-11,19H,3-4,6,8-9H2,1-2H3,(H,18,20)
InChIKeyPADRRLVZGDLGDV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.43
Rot. Bonds3

About 6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 18104801) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID18104801
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCCNC(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3
InChIInChI=1S/C17H22N2O/c1-3-8-18-17(20)12-5-7-16-14(10-12)13-9-11(2)4-6-15(13)19-16/h5,7,10-11,19H,3-4,6,8-9H2,1-2H3,(H,18,20)
InChIKeyPADRRLVZGDLGDV-UHFFFAOYSA-N
XLogP3.43
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
N-[(1,1-dioxothietan-3-yl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 154765988
[1-oxo-1-(propylamino)propan-2-yl] 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 45351677
N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 17433866
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2114335
6-methyl-N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 4786373
(6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 9119789
(6S)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26447575
(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 36922905
(6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 40896802
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 92516183

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of 6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 18104801) is 6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for 6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for 6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CCCNC(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3.
What is the InChIKey of 6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is PADRRLVZGDLGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-8-18-17(20)12-5-7-16-14(10-12)13-9-11(2)4-6-15(13)19-16/h5,7,10-11,19H,3-4,6,8-9H2,1-2H3,(H,18,20).
What are the key properties of 6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 18104801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).