1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide

C17H17N3O — CID 172688184

IUPAC1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide
SMILESCNCc1cccc(-n2ccc3cccc(C(N)=O)c32)c1
InChIInChI=1S/C17H17N3O/c1-19-11-12-4-2-6-14(10-12)20-9-8-13-5-3-7-15(16(13)20)17(18)21/h2-10,19H,11H2,1H3,(H2,18,21)
InChIKeyBHWOZTDSVUUAHH-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.45
Rot. Bonds4

About 1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide

1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide (PubChem CID 172688184) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide
PubChem CID172688184
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide
SMILESCNCc1cccc(-n2ccc3cccc(C(N)=O)c32)c1
InChIInChI=1S/C17H17N3O/c1-19-11-12-4-2-6-14(10-12)20-9-8-13-5-3-7-15(16(13)20)17(18)21/h2-10,19H,11H2,1H3,(H2,18,21)
InChIKeyBHWOZTDSVUUAHH-UHFFFAOYSA-N
XLogP2.45
TPSA60.05 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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide?
The IUPAC name of 1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide (CID 172688184) is 1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide.
What is the SMILES notation for 1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide?
The canonical SMILES for 1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide is CNCc1cccc(-n2ccc3cccc(C(N)=O)c32)c1.
What is the InChIKey of 1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide?
The InChIKey is BHWOZTDSVUUAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-19-11-12-4-2-6-14(10-12)20-9-8-13-5-3-7-15(16(13)20)17(18)21/h2-10,19H,11H2,1H3,(H2,18,21).
What are the key properties of 1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide?
1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide is sourced from PubChem (CID 172688184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).