N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide

C16H22N4O2 — CID 78867674

IUPACN-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1n[nH]c2ccc(C)cc12
InChIInChI=1S/C16H22N4O2/c1-5-20(9-14(21)17-10(2)3)16(22)15-12-8-11(4)6-7-13(12)18-19-15/h6-8,10H,5,9H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyMKJTWTMPCVTHPB-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.86
Rot. Bonds5

About N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide

N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide (PubChem CID 78867674) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide
PubChem CID78867674
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1n[nH]c2ccc(C)cc12
InChIInChI=1S/C16H22N4O2/c1-5-20(9-14(21)17-10(2)3)16(22)15-12-8-11(4)6-7-13(12)18-19-15/h6-8,10H,5,9H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyMKJTWTMPCVTHPB-UHFFFAOYSA-N
XLogP1.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide (CID 78867674) is N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1n[nH]c2ccc(C)cc12.
What is the InChIKey of N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is MKJTWTMPCVTHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-5-20(9-14(21)17-10(2)3)16(22)15-12-8-11(4)6-7-13(12)18-19-15/h6-8,10H,5,9H2,1-4H3,(H,17,21)(H,18,19).
What are the key properties of N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide?
N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 78867674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).