6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide

C22H19N3O3 — CID 90596329

IUPAC6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3cccc(Oc4ccccn4)c3)[nH]c2c1
InChIInChI=1S/C22H19N3O3/c1-27-17-9-8-16-12-20(25-19(16)13-17)22(26)24-14-15-5-4-6-18(11-15)28-21-7-2-3-10-23-21/h2-13,25H,14H2,1H3,(H,24,26)
InChIKeyYNKQKIBHYDQKQD-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.29
Rot. Bonds6

About 6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide

6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 90596329) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID90596329
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3cccc(Oc4ccccn4)c3)[nH]c2c1
InChIInChI=1S/C22H19N3O3/c1-27-17-9-8-16-12-20(25-19(16)13-17)22(26)24-14-15-5-4-6-18(11-15)28-21-7-2-3-10-23-21/h2-13,25H,14H2,1H3,(H,24,26)
InChIKeyYNKQKIBHYDQKQD-UHFFFAOYSA-N
XLogP4.29
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 57403071
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596216
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 75417280
6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 52935276
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide
CID 90596035
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 38420989
4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 121142482
6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 117077677
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide;hydrochloride
CID 119099681
N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 90596022

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide (CID 90596329) is 6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCc3cccc(Oc4ccccn4)c3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is YNKQKIBHYDQKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-27-17-9-8-16-12-20(25-19(16)13-17)22(26)24-14-15-5-4-6-18(11-15)28-21-7-2-3-10-23-21/h2-13,25H,14H2,1H3,(H,24,26).
What are the key properties of 6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide?
6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 90596329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).