N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

C17H14N4O4 — CID 36575892

IUPACN-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cccc2cn[nH]c12
InChIInChI=1S/C17H14N4O4/c22-15(20-12-3-1-2-11-7-19-21-16(11)12)8-18-17(23)10-4-5-13-14(6-10)25-9-24-13/h1-7H,8-9H2,(H,18,23)(H,19,21)(H,20,22)
InChIKeyWDKBSBNCGPWWQG-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.66
Rot. Bonds4

About N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 36575892) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID36575892
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC NameN-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cccc2cn[nH]c12
InChIInChI=1S/C17H14N4O4/c22-15(20-12-3-1-2-11-7-19-21-16(11)12)8-18-17(23)10-4-5-13-14(6-10)25-9-24-13/h1-7H,8-9H2,(H,18,23)(H,19,21)(H,20,22)
InChIKeyWDKBSBNCGPWWQG-UHFFFAOYSA-N
XLogP1.66
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 771880
N-[2-oxo-2-(quinolin-3-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 33263240
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17394593
N-[2-(3-chloroanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 26578694
2-cyano-N-(1H-indazol-7-yl)acetamide
CID 110470078
N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18145771
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 84505135
N-[2-(4-bromoanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 26537277
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17460856
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 113001675
N-[2-oxo-2-[3-(2-phenylethynyl)anilino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 25480843
N-[2-(4-tert-butylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 27258854

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 36575892) is N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cccc2cn[nH]c12.
What is the InChIKey of N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is WDKBSBNCGPWWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c22-15(20-12-3-1-2-11-7-19-21-16(11)12)8-18-17(23)10-4-5-13-14(6-10)25-9-24-13/h1-7H,8-9H2,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 36575892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).