2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide

C19H18N4O2 — CID 139412517

IUPAC2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCc3cc(-c4noc(C)n4)ccc32)ccn1
InChIInChI=1S/C19H18N4O2/c1-11-9-15(7-8-20-11)19(24)22-17-6-4-13-10-14(3-5-16(13)17)18-21-12(2)25-23-18/h3,5,7-10,17H,4,6H2,1-2H3,(H,22,24)
InChIKeyUHBYNMLYSQRPGY-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.17
Rot. Bonds3

About 2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide

2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide (PubChem CID 139412517) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
PubChem CID139412517
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCc3cc(-c4noc(C)n4)ccc32)ccn1
InChIInChI=1S/C19H18N4O2/c1-11-9-15(7-8-20-11)19(24)22-17-6-4-13-10-14(3-5-16(13)17)18-21-12(2)25-23-18/h3,5,7-10,17H,4,6H2,1-2H3,(H,22,24)
InChIKeyUHBYNMLYSQRPGY-UHFFFAOYSA-N
XLogP3.17
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide (CID 139412517) is 2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCc3cc(-c4noc(C)n4)ccc32)ccn1.
What is the InChIKey of 2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
The InChIKey is UHBYNMLYSQRPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-11-9-15(7-8-20-11)19(24)22-17-6-4-13-10-14(3-5-16(13)17)18-21-12(2)25-23-18/h3,5,7-10,17H,4,6H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 139412517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).