4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C20H23N5O2 — CID 126768890

IUPAC4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1noc(CCNC(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C20H23N5O2/c1-13-19(16-5-3-4-6-17(16)22-13)15-8-11-25(12-9-15)20(26)21-10-7-18-23-14(2)24-27-18/h3-6,8,22H,7,9-12H2,1-2H3,(H,21,26)
InChIKeyTVDLLLOXIRVJSZ-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.21
Rot. Bonds4

About 4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 126768890) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID126768890
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1noc(CCNC(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C20H23N5O2/c1-13-19(16-5-3-4-6-17(16)22-13)15-8-11-25(12-9-15)20(26)21-10-7-18-23-14(2)24-27-18/h3-6,8,22H,7,9-12H2,1-2H3,(H,21,26)
InChIKeyTVDLLLOXIRVJSZ-UHFFFAOYSA-N
XLogP3.21
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 126768890) is 4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1noc(CCNC(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)n1.
What is the InChIKey of 4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is TVDLLLOXIRVJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-19(16-5-3-4-6-17(16)22-13)15-8-11-25(12-9-15)20(26)21-10-7-18-23-14(2)24-27-18/h3-6,8,22H,7,9-12H2,1-2H3,(H,21,26).
What are the key properties of 4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-indol-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 126768890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).