N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide

C13H16N4O2 — CID 110475586

IUPACN-(2-acetamidoethyl)-1-methylindazole-6-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2cnn(C)c2c1
InChIInChI=1S/C13H16N4O2/c1-9(18)14-5-6-15-13(19)10-3-4-11-8-16-17(2)12(11)7-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyLJTFKLTVHWIKLR-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.44
Rot. Bonds4

About N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide

N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide (PubChem CID 110475586) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-1-methylindazole-6-carboxamide
PubChem CID110475586
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(2-acetamidoethyl)-1-methylindazole-6-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2cnn(C)c2c1
InChIInChI=1S/C13H16N4O2/c1-9(18)14-5-6-15-13(19)10-3-4-11-8-16-17(2)12(11)7-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyLJTFKLTVHWIKLR-UHFFFAOYSA-N
XLogP0.44
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide
CID 110475629
1-methyl-N-pyridin-2-ylindazole-6-carboxamide
CID 110475569
1-methyl-N-(1H-1,2,4-triazol-5-yl)indazole-6-carboxamide
CID 110475562
N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide
CID 131971049
N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide
CID 70952747
N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766529
(1-methylindazol-6-yl)-pyrazol-1-ylmethanone
CID 110475554
N-[[4-(1-methylindazol-6-yl)sulfonylphenyl]methyl]isoquinoline-7-carboxamide
CID 138592982
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide (CID 110475586) is N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide is CC(=O)NCCNC(=O)c1ccc2cnn(C)c2c1.
What is the InChIKey of N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide?
The InChIKey is LJTFKLTVHWIKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(18)14-5-6-15-13(19)10-3-4-11-8-16-17(2)12(11)7-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide?
N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide is sourced from PubChem (CID 110475586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).