1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride

C12H16ClN3O2 — CID 75513766

IUPAC1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride
SMILESCNCC(=O)N1CC(C(N)=O)c2ccccc21.Cl
InChIInChI=1S/C12H15N3O2.ClH/c1-14-6-11(16)15-7-9(12(13)17)8-4-2-3-5-10(8)15;/h2-5,9,14H,6-7H2,1H3,(H2,13,17);1H
InChIKeyPSUHRDDCNPISAZ-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.24
Rot. Bonds3

About 1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride

1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride (PubChem CID 75513766) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride
PubChem CID75513766
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride
SMILESCNCC(=O)N1CC(C(N)=O)c2ccccc21.Cl
InChIInChI=1S/C12H15N3O2.ClH/c1-14-6-11(16)15-7-9(12(13)17)8-4-2-3-5-10(8)15;/h2-5,9,14H,6-7H2,1H3,(H2,13,17);1H
InChIKeyPSUHRDDCNPISAZ-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride
CID 75513768
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144
1-[4-(methylamino)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565125
1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide
CID 75371606
1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 75403700
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
1-methylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 166050469
1-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80562954
1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 82851509
1-(2-aminopropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564978
2-(ethylamino)-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 113266315
2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119733412

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride?
The IUPAC name of 1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride (CID 75513766) is 1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride is CNCC(=O)N1CC(C(N)=O)c2ccccc21.Cl.
What is the InChIKey of 1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride?
The InChIKey is PSUHRDDCNPISAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2.ClH/c1-14-6-11(16)15-7-9(12(13)17)8-4-2-3-5-10(8)15;/h2-5,9,14H,6-7H2,1H3,(H2,13,17);1H.
What are the key properties of 1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride?
1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride has a molecular weight of 269.73 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride is sourced from PubChem (CID 75513766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).