4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide

C23H21N3O2 — CID 174783705

IUPAC4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide
SMILESCOc1cccc(-c2cc3c(-c4ccccc4CN)ccc(C(N)=O)c3[nH]2)c1
InChIInChI=1S/C23H21N3O2/c1-28-16-7-4-6-14(11-16)21-12-20-18(17-8-3-2-5-15(17)13-24)9-10-19(23(25)27)22(20)26-21/h2-12,26H,13,24H2,1H3,(H2,25,27)
InChIKeyOXSLKWZDMXWLAW-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.07
Rot. Bonds5

About 4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide

4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide (PubChem CID 174783705) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide
PubChem CID174783705
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide
SMILESCOc1cccc(-c2cc3c(-c4ccccc4CN)ccc(C(N)=O)c3[nH]2)c1
InChIInChI=1S/C23H21N3O2/c1-28-16-7-4-6-14(11-16)21-12-20-18(17-8-3-2-5-15(17)13-24)9-10-19(23(25)27)22(20)26-21/h2-12,26H,13,24H2,1H3,(H2,25,27)
InChIKeyOXSLKWZDMXWLAW-UHFFFAOYSA-N
XLogP4.07
TPSA94.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide?
The IUPAC name of 4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide (CID 174783705) is 4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide.
What is the SMILES notation for 4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide?
The canonical SMILES for 4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide is COc1cccc(-c2cc3c(-c4ccccc4CN)ccc(C(N)=O)c3[nH]2)c1.
What is the InChIKey of 4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide?
The InChIKey is OXSLKWZDMXWLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-28-16-7-4-6-14(11-16)21-12-20-18(17-8-3-2-5-15(17)13-24)9-10-19(23(25)27)22(20)26-21/h2-12,26H,13,24H2,1H3,(H2,25,27).
What are the key properties of 4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide?
4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 174783705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).