N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide

C13H17N3O — CID 78911937

IUPACN',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
SMILESCc1[nH]c2ccc(C(=O)NN(C)C)cc2c1C
InChIInChI=1S/C13H17N3O/c1-8-9(2)14-12-6-5-10(7-11(8)12)13(17)15-16(3)4/h5-7,14H,1-4H3,(H,15,17)
InChIKeyAUMKAUKLJKMPEC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.99
Rot. Bonds2

About N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide

N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide (PubChem CID 78911937) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide.

Molecular Properties

Compound NameN',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
PubChem CID78911937
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
SMILESCc1[nH]c2ccc(C(=O)NN(C)C)cc2c1C
InChIInChI=1S/C13H17N3O/c1-8-9(2)14-12-6-5-10(7-11(8)12)13(17)15-16(3)4/h5-7,14H,1-4H3,(H,15,17)
InChIKeyAUMKAUKLJKMPEC-UHFFFAOYSA-N
XLogP1.99
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide
CID 82725792
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 48503245
N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30378480
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
[2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080215
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-3-methylbutanoic acid
CID 43109582
N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26581665

Frequently Asked Questions

What is the IUPAC name of N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide?
The IUPAC name of N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide (CID 78911937) is N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide.
What is the SMILES notation for N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide?
The canonical SMILES for N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide is Cc1[nH]c2ccc(C(=O)NN(C)C)cc2c1C.
What is the InChIKey of N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide?
The InChIKey is AUMKAUKLJKMPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-9(2)14-12-6-5-10(7-11(8)12)13(17)15-16(3)4/h5-7,14H,1-4H3,(H,15,17).
What are the key properties of N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide?
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide has a molecular weight of 231.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide is sourced from PubChem (CID 78911937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).