N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide

C25H26N4O3 — CID 146209070

IUPACN-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC)c1
InChIInChI=1S/C25H26N4O3/c1-15-20-12-16(7-9-22(20)29-28-15)17-8-10-24(32-3)21(13-17)25(30)27-23(14-26)18-5-4-6-19(11-18)31-2/h4-13,23H,14,26H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyRQJNDHYSIAYHOI-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.99
Rot. Bonds7

About N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide

N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide (PubChem CID 146209070) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide
PubChem CID146209070
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC)c1
InChIInChI=1S/C25H26N4O3/c1-15-20-12-16(7-9-22(20)29-28-15)17-8-10-24(32-3)21(13-17)25(30)27-23(14-26)18-5-4-6-19(11-18)31-2/h4-13,23H,14,26H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyRQJNDHYSIAYHOI-UHFFFAOYSA-N
XLogP3.99
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide?
The IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide (CID 146209070) is N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide.
What is the SMILES notation for N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide?
The canonical SMILES for N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide is COc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC)c1.
What is the InChIKey of N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide?
The InChIKey is RQJNDHYSIAYHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-15-20-12-16(7-9-22(20)29-28-15)17-8-10-24(32-3)21(13-17)25(30)27-23(14-26)18-5-4-6-19(11-18)31-2/h4-13,23H,14,26H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide?
N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide has a molecular weight of 430.51 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide is sourced from PubChem (CID 146209070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).