N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide

C20H21N3O3 — CID 11958830

IUPACN-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide
SMILESC=CCOc1c2ccc(C(=O)NCc3ccccc3OC)cc2nn1C
InChIInChI=1S/C20H21N3O3/c1-4-11-26-20-16-10-9-14(12-17(16)22-23(20)2)19(24)21-13-15-7-5-6-8-18(15)25-3/h4-10,12H,1,11,13H2,2-3H3,(H,21,24)
InChIKeySMLYCPBSJLOVPD-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.08
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide

N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide (PubChem CID 11958830) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide
PubChem CID11958830
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide
SMILESC=CCOc1c2ccc(C(=O)NCc3ccccc3OC)cc2nn1C
InChIInChI=1S/C20H21N3O3/c1-4-11-26-20-16-10-9-14(12-17(16)22-23(20)2)19(24)21-13-15-7-5-6-8-18(15)25-3/h4-10,12H,1,11,13H2,2-3H3,(H,21,24)
InChIKeySMLYCPBSJLOVPD-UHFFFAOYSA-N
XLogP3.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide (CID 11958830) is N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide is C=CCOc1c2ccc(C(=O)NCc3ccccc3OC)cc2nn1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide?
The InChIKey is SMLYCPBSJLOVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-11-26-20-16-10-9-14(12-17(16)22-23(20)2)19(24)21-13-15-7-5-6-8-18(15)25-3/h4-10,12H,1,11,13H2,2-3H3,(H,21,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxyindazole-6-carboxamide is sourced from PubChem (CID 11958830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).