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

C23H18N4O — CID 174783810

IUPAC4-[2-(aminomethyl)phenyl]-2-(3-cyanophenyl)-1H-indole-7-carboxamide
SMILESN#Cc1cccc(-c2cc3c(-c4ccccc4CN)ccc(C(N)=O)c3[nH]2)c1
InChIInChI=1S/C23H18N4O/c24-12-14-4-3-6-15(10-14)21-11-20-18(17-7-2-1-5-16(17)13-25)8-9-19(23(26)28)22(20)27-21/h1-11,27H,13,25H2,(H2,26,28)
InChIKeySEOFYHDTBSJOMO-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.93
Rot. Bonds4

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

4-[2-(aminomethyl)phenyl]-2-(3-cyanophenyl)-1H-indole-7-carboxamide (PubChem CID 174783810) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[2-(aminomethyl)phenyl]-2-(3-cyanophenyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)phenyl]-2-(3-cyanophenyl)-1H-indole-7-carboxamide
PubChem CID174783810
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name4-[2-(aminomethyl)phenyl]-2-(3-cyanophenyl)-1H-indole-7-carboxamide
SMILESN#Cc1cccc(-c2cc3c(-c4ccccc4CN)ccc(C(N)=O)c3[nH]2)c1
InChIInChI=1S/C23H18N4O/c24-12-14-4-3-6-15(10-14)21-11-20-18(17-7-2-1-5-16(17)13-25)8-9-19(23(26)28)22(20)27-21/h1-11,27H,13,25H2,(H2,26,28)
InChIKeySEOFYHDTBSJOMO-UHFFFAOYSA-N
XLogP3.93
TPSA108.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-(aminomethyl)phenyl]-2-(3-cyanophenyl)-1H-indole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)phenyl]-2-(3-cyanophenyl)-1H-indole-7-carboxamide?
The IUPAC name of 4-[2-(aminomethyl)phenyl]-2-(3-cyanophenyl)-1H-indole-7-carboxamide (CID 174783810) is 4-[2-(aminomethyl)phenyl]-2-(3-cyanophenyl)-1H-indole-7-carboxamide.
What is the SMILES notation for 4-[2-(aminomethyl)phenyl]-2-(3-cyanophenyl)-1H-indole-7-carboxamide?
The canonical SMILES for 4-[2-(aminomethyl)phenyl]-2-(3-cyanophenyl)-1H-indole-7-carboxamide is N#Cc1cccc(-c2cc3c(-c4ccccc4CN)ccc(C(N)=O)c3[nH]2)c1.
What is the InChIKey of 4-[2-(aminomethyl)phenyl]-2-(3-cyanophenyl)-1H-indole-7-carboxamide?
The InChIKey is SEOFYHDTBSJOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c24-12-14-4-3-6-15(10-14)21-11-20-18(17-7-2-1-5-16(17)13-25)8-9-19(23(26)28)22(20)27-21/h1-11,27H,13,25H2,(H2,26,28).
What are the key properties of 4-[2-(aminomethyl)phenyl]-2-(3-cyanophenyl)-1H-indole-7-carboxamide?
4-[2-(aminomethyl)phenyl]-2-(3-cyanophenyl)-1H-indole-7-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.93, 4 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-cyanophenyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 174783810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).