6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide

C20H17N3O2S — CID 91625671

IUPAC6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccnc(-c4ccsc4)c3)[nH]c2c1
InChIInChI=1S/C20H17N3O2S/c1-25-16-3-2-14-9-19(23-18(14)10-16)20(24)22-11-13-4-6-21-17(8-13)15-5-7-26-12-15/h2-10,12,23H,11H2,1H3,(H,22,24)
InChIKeyLGIUVJXESXPESS-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.23
Rot. Bonds5

About 6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide

6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide (PubChem CID 91625671) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide
PubChem CID91625671
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccnc(-c4ccsc4)c3)[nH]c2c1
InChIInChI=1S/C20H17N3O2S/c1-25-16-3-2-14-9-19(23-18(14)10-16)20(24)22-11-13-4-6-21-17(8-13)15-5-7-26-12-15/h2-10,12,23H,11H2,1H3,(H,22,24)
InChIKeyLGIUVJXESXPESS-UHFFFAOYSA-N
XLogP4.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide (CID 91625671) is 6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCc3ccnc(-c4ccsc4)c3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is LGIUVJXESXPESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-25-16-3-2-14-9-19(23-18(14)10-16)20(24)22-11-13-4-6-21-17(8-13)15-5-7-26-12-15/h2-10,12,23H,11H2,1H3,(H,22,24).
What are the key properties of 6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide?
6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91625671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).