N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide

C14H18N4O2 — CID 2532324

IUPACN-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H18N4O2/c1-3-8-15-12(19)9-18(2)14(20)13-10-6-4-5-7-11(10)16-17-13/h4-7H,3,8-9H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyPGDBMOAAFZUDDB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.16
Rot. Bonds5

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

N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide (PubChem CID 2532324) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide
PubChem CID2532324
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H18N4O2/c1-3-8-15-12(19)9-18(2)14(20)13-10-6-4-5-7-11(10)16-17-13/h4-7H,3,8-9H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyPGDBMOAAFZUDDB-UHFFFAOYSA-N
XLogP1.16
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide (CID 2532324) is N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide is CCCNC(=O)CN(C)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is PGDBMOAAFZUDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-8-15-12(19)9-18(2)14(20)13-10-6-4-5-7-11(10)16-17-13/h4-7H,3,8-9H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide?
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 2532324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).