1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide

C17H17N3O — CID 171342626

IUPAC1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide
SMILESNCc1ccc(Cn2ccc3cc(C(N)=O)ccc32)cc1
InChIInChI=1S/C17H17N3O/c18-10-12-1-3-13(4-2-12)11-20-8-7-14-9-15(17(19)21)5-6-16(14)20/h1-9H,10-11,18H2,(H2,19,21)
InChIKeyGFPWNKIPYDKLPA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.25
Rot. Bonds4

About 1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide

1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide (PubChem CID 171342626) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide
PubChem CID171342626
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide
SMILESNCc1ccc(Cn2ccc3cc(C(N)=O)ccc32)cc1
InChIInChI=1S/C17H17N3O/c18-10-12-1-3-13(4-2-12)11-20-8-7-14-9-15(17(19)21)5-6-16(14)20/h1-9H,10-11,18H2,(H2,19,21)
InChIKeyGFPWNKIPYDKLPA-UHFFFAOYSA-N
XLogP2.25
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide
CID 90075227
4-[(5-acetamidoindol-1-yl)methyl]benzamide
CID 71812129
4-[(5-nitroindol-1-yl)methyl]benzamide
CID 70316559
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052
[4-(indol-1-ylmethyl)phenyl]methanamine
CID 43134818
1-[(4-iodophenyl)methyl]indole-5-carboxylic acid
CID 65477829
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
4-[[5-[(3,3-dimethylbutylamino)methyl]indol-1-yl]methyl]benzamide
CID 11772899
4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63879545
[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine
CID 83968569
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731
4-[(5-bromoindol-1-yl)methyl]benzoic acid
CID 4576218

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide?
The IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide (CID 171342626) is 1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide.
What is the SMILES notation for 1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide?
The canonical SMILES for 1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide is NCc1ccc(Cn2ccc3cc(C(N)=O)ccc32)cc1.
What is the InChIKey of 1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide?
The InChIKey is GFPWNKIPYDKLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-10-12-1-3-13(4-2-12)11-20-8-7-14-9-15(17(19)21)5-6-16(14)20/h1-9H,10-11,18H2,(H2,19,21).
What are the key properties of 1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide?
1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide is sourced from PubChem (CID 171342626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).