N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide

C14H16N4O2 — CID 63286734

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H16N4O2/c1-20-8-7-18(6-2-5-15)14(19)11-3-4-12-10-16-17-13(12)9-11/h3-4,9-10H,2,6-8H2,1H3,(H,16,17)
InChIKeyUIVZPHCFTZSLSQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.57
Rot. Bonds6

About N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide

N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide (PubChem CID 63286734) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide
PubChem CID63286734
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H16N4O2/c1-20-8-7-18(6-2-5-15)14(19)11-3-4-12-10-16-17-13(12)9-11/h3-4,9-10H,2,6-8H2,1H3,(H,16,17)
InChIKeyUIVZPHCFTZSLSQ-UHFFFAOYSA-N
XLogP1.57
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 63978805
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107075274
4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 63237307
3-bromo-N-(2-cyanoethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
CID 71869269
N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63286998
N-butyl-N-ethyl-1H-indazole-6-carboxamide
CID 55023829
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)benzamide
CID 63286904
N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)-4-nitrobenzamide
CID 103725271
N,N-bis(2-amino-2-oxoethyl)-1H-indazole-6-carboxamide
CID 62923706
N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 63237168
[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate
CID 55528324
N,N-bis(2-cyanoethyl)-3-methoxybenzamide
CID 4626859

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide (CID 63286734) is N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide is COCCN(CCC#N)C(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide?
The InChIKey is UIVZPHCFTZSLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-8-7-18(6-2-5-15)14(19)11-3-4-12-10-16-17-13(12)9-11/h3-4,9-10H,2,6-8H2,1H3,(H,16,17).
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 63286734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).