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

C20H24N4O — CID 36922905

IUPAC(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC[C@H]1CCc2[nH]c3ccc(C(=O)NCCCn4ccnc4)cc3c2C1
InChIInChI=1S/C20H24N4O/c1-14-3-5-18-16(11-14)17-12-15(4-6-19(17)23-18)20(25)22-7-2-9-24-10-8-21-13-24/h4,6,8,10,12-14,23H,2-3,5,7,9,11H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyCKCKPVMCSZCMLC-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-3-carboxamide

(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 36922905) 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-3-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID36922905
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-3-carboxamide
SMILESC[C@H]1CCc2[nH]c3ccc(C(=O)NCCCn4ccnc4)cc3c2C1
InChIInChI=1S/C20H24N4O/c1-14-3-5-18-16(11-14)17-12-15(4-6-19(17)23-18)20(25)22-7-2-9-24-10-8-21-13-24/h4,6,8,10,12-14,23H,2-3,5,7,9,11H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyCKCKPVMCSZCMLC-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

(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 94185005
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
N-[(1,1-dioxothietan-3-yl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 154765988
(6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41376896
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
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17395173
(6S)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26447575
N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43910415
(6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 40896802

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 36922905) is (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is C[C@H]1CCc2[nH]c3ccc(C(=O)NCCCn4ccnc4)cc3c2C1.
What is the InChIKey of (6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is CKCKPVMCSZCMLC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-3-5-18-16(11-14)17-12-15(4-6-19(17)23-18)20(25)22-7-2-9-24-10-8-21-13-24/h4,6,8,10,12-14,23H,2-3,5,7,9,11H2,1H3,(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-3-carboxamide?
(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-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-3-carboxamide is sourced from PubChem (CID 36922905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).