3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride

C21H26ClN3O2 — CID 19028108

IUPAC3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride
SMILESCc1cccc(C)c1NNC(=O)c1cccc2c1CC(NC1CC1)CO2.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-13-5-3-6-14(2)20(13)23-24-21(25)17-7-4-8-19-18(17)11-16(12-26-19)22-15-9-10-15;/h3-8,15-16,22-23H,9-12H2,1-2H3,(H,24,25);1H
InChIKeyQODJFVGAYKNFKI-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.54
Rot. Bonds5

About 3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride

3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride (PubChem CID 19028108) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride
PubChem CID19028108
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride
SMILESCc1cccc(C)c1NNC(=O)c1cccc2c1CC(NC1CC1)CO2.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-13-5-3-6-14(2)20(13)23-24-21(25)17-7-4-8-19-18(17)11-16(12-26-19)22-15-9-10-15;/h3-8,15-16,22-23H,9-12H2,1-2H3,(H,24,25);1H
InChIKeyQODJFVGAYKNFKI-UHFFFAOYSA-N
XLogP3.54
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride?
The IUPAC name of 3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride (CID 19028108) is 3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride.
What is the SMILES notation for 3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride?
The canonical SMILES for 3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride is Cc1cccc(C)c1NNC(=O)c1cccc2c1CC(NC1CC1)CO2.Cl.
What is the InChIKey of 3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride?
The InChIKey is QODJFVGAYKNFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-13-5-3-6-14(2)20(13)23-24-21(25)17-7-4-8-19-18(17)11-16(12-26-19)22-15-9-10-15;/h3-8,15-16,22-23H,9-12H2,1-2H3,(H,24,25);1H.
What are the key properties of 3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride?
3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N'-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromene-5-carbohydrazide;hydrochloride is sourced from PubChem (CID 19028108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).