5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide

C22H20N4O2 — CID 2809798

IUPAC5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N(Cc3ccccn3)Cc3ccccn3)cc2c1
InChIInChI=1S/C22H20N4O2/c1-28-19-8-9-20-16(12-19)13-21(25-20)22(27)26(14-17-6-2-4-10-23-17)15-18-7-3-5-11-24-18/h2-13,25H,14-15H2,1H3
InChIKeyLAGDLDKMXOMGNG-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.81
Rot. Bonds6

About 5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide

5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 2809798) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID2809798
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N(Cc3ccccn3)Cc3ccccn3)cc2c1
InChIInChI=1S/C22H20N4O2/c1-28-19-8-9-20-16(12-19)13-21(25-20)22(27)26(14-17-6-2-4-10-23-17)15-18-7-3-5-11-24-18/h2-13,25H,14-15H2,1H3
InChIKeyLAGDLDKMXOMGNG-UHFFFAOYSA-N
XLogP3.81
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide (CID 2809798) is 5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N(Cc3ccccn3)Cc3ccccn3)cc2c1.
What is the InChIKey of 5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is LAGDLDKMXOMGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-28-19-8-9-20-16(12-19)13-21(25-20)22(27)26(14-17-6-2-4-10-23-17)15-18-7-3-5-11-24-18/h2-13,25H,14-15H2,1H3.
What are the key properties of 5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 2809798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).