N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide

C19H19N3O5 — CID 30455105

IUPACN'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C19H19N3O5/c1-25-15-8-11(9-16(26-2)17(15)27-3)18(23)21-22-19(24)13-10-20-14-7-5-4-6-12(13)14/h4-10,20H,1-3H3,(H,21,23)(H,22,24)
InChIKeyPCCIPFOXKQTTHD-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.27
Rot. Bonds5

About N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide

N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide (PubChem CID 30455105) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
PubChem CID30455105
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C19H19N3O5/c1-25-15-8-11(9-16(26-2)17(15)27-3)18(23)21-22-19(24)13-10-20-14-7-5-4-6-12(13)14/h4-10,20H,1-3H3,(H,21,23)(H,22,24)
InChIKeyPCCIPFOXKQTTHD-UHFFFAOYSA-N
XLogP2.27
TPSA101.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455952
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 8013162
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788
4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
CID 55602361
N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
N-(2-methoxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 60933429
N-[(1H-indole-3-carbonylamino)carbamothioyl]-4-methoxy-3-nitrobenzamide
CID 3660311
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028

Frequently Asked Questions

What is the IUPAC name of N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide?
The IUPAC name of N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide (CID 30455105) is N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide is COc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc(OC)c1OC.
What is the InChIKey of N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide?
The InChIKey is PCCIPFOXKQTTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-25-15-8-11(9-16(26-2)17(15)27-3)18(23)21-22-19(24)13-10-20-14-7-5-4-6-12(13)14/h4-10,20H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide?
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide has a molecular weight of 369.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide is sourced from PubChem (CID 30455105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).