6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide

C15H20ClN3O — CID 155523189

IUPAC6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide
SMILESCCCNC(=O)c1[nH]c2cc(Cl)ccc2c1CN(C)C
InChIInChI=1S/C15H20ClN3O/c1-4-7-17-15(20)14-12(9-19(2)3)11-6-5-10(16)8-13(11)18-14/h5-6,8,18H,4,7,9H2,1-3H3,(H,17,20)
InChIKeyXKHBBGQTMQVXOL-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.02
Rot. Bonds5

About 6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide

6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide (PubChem CID 155523189) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide
PubChem CID155523189
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide
SMILESCCCNC(=O)c1[nH]c2cc(Cl)ccc2c1CN(C)C
InChIInChI=1S/C15H20ClN3O/c1-4-7-17-15(20)14-12(9-19(2)3)11-6-5-10(16)8-13(11)18-14/h5-6,8,18H,4,7,9H2,1-3H3,(H,17,20)
InChIKeyXKHBBGQTMQVXOL-UHFFFAOYSA-N
XLogP3.02
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide (CID 155523189) is 6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide is CCCNC(=O)c1[nH]c2cc(Cl)ccc2c1CN(C)C.
What is the InChIKey of 6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide?
The InChIKey is XKHBBGQTMQVXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-4-7-17-15(20)14-12(9-19(2)3)11-6-5-10(16)8-13(11)18-14/h5-6,8,18H,4,7,9H2,1-3H3,(H,17,20).
What are the key properties of 6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide?
6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide has a molecular weight of 293.80 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide is sourced from PubChem (CID 155523189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).