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

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Related Compounds

4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide
CID 174783705
4-[2-(aminomethyl)phenyl]-2-pyridin-4-yl-1H-indole-7-carboxamide;1H-azet-2-one
CID 174783807
4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one
CID 174783747
5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402878
3-[2-(hydroxymethyl)phenyl]benzonitrile
CID 1392149
4-[2-methyl-3-[2-oxo-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]phenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide
CID 162154975
2-naphthalen-1-yl-1H-indole-7-carboxamide
CID 22014944
2-(3-cyanophenyl)-N-propylbenzamide
CID 56707495
4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide
CID 174783811
3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile
CID 138570011
4-amino-2-phenyl-1H-indole-7-carboxylic acid
CID 82382329
2-(3-phenylphenyl)-1H-indole-4-carboxamide
CID 22014873

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).