6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide

C20H18N4O2 — CID 118414266

IUPAC6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide
SMILESCc1noc(C)c1Cn1ccc2cc(-c3cccc(C(N)=O)n3)ccc21
InChIInChI=1S/C20H18N4O2/c1-12-16(13(2)26-23-12)11-24-9-8-15-10-14(6-7-19(15)24)17-4-3-5-18(22-17)20(21)25/h3-10H,11H2,1-2H3,(H2,21,25)
InChIKeyQCDGOCYTJGWBKS-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.46
Rot. Bonds4

About 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide

6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide (PubChem CID 118414266) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide
PubChem CID118414266
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide
SMILESCc1noc(C)c1Cn1ccc2cc(-c3cccc(C(N)=O)n3)ccc21
InChIInChI=1S/C20H18N4O2/c1-12-16(13(2)26-23-12)11-24-9-8-15-10-14(6-7-19(15)24)17-4-3-5-18(22-17)20(21)25/h3-10H,11H2,1-2H3,(H2,21,25)
InChIKeyQCDGOCYTJGWBKS-UHFFFAOYSA-N
XLogP3.46
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide (CID 118414266) is 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide is Cc1noc(C)c1Cn1ccc2cc(-c3cccc(C(N)=O)n3)ccc21.
What is the InChIKey of 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide?
The InChIKey is QCDGOCYTJGWBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12-16(13(2)26-23-12)11-24-9-8-15-10-14(6-7-19(15)24)17-4-3-5-18(22-17)20(21)25/h3-10H,11H2,1-2H3,(H2,21,25).
What are the key properties of 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide?
6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118414266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).