1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide

C19H21N5O3 — CID 136542631

IUPAC1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)Nc2cccc(-c3nncn3C)c2)c(=O)cc1C
InChIInChI=1S/C19H21N5O3/c1-13-9-17(25)16(11-24(13)7-8-27-3)19(26)21-15-6-4-5-14(10-15)18-22-20-12-23(18)2/h4-6,9-12H,7-8H2,1-3H3,(H,21,26)
InChIKeyKPMMBLYFOFCLAG-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.85
Rot. Bonds6

About 1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide

1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide (PubChem CID 136542631) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide
PubChem CID136542631
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)Nc2cccc(-c3nncn3C)c2)c(=O)cc1C
InChIInChI=1S/C19H21N5O3/c1-13-9-17(25)16(11-24(13)7-8-27-3)19(26)21-15-6-4-5-14(10-15)18-22-20-12-23(18)2/h4-6,9-12H,7-8H2,1-3H3,(H,21,26)
InChIKeyKPMMBLYFOFCLAG-UHFFFAOYSA-N
XLogP1.85
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide (CID 136542631) is 1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide is COCCn1cc(C(=O)Nc2cccc(-c3nncn3C)c2)c(=O)cc1C.
What is the InChIKey of 1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide?
The InChIKey is KPMMBLYFOFCLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-9-17(25)16(11-24(13)7-8-27-3)19(26)21-15-6-4-5-14(10-15)18-22-20-12-23(18)2/h4-6,9-12H,7-8H2,1-3H3,(H,21,26).
What are the key properties of 1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide?
1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 136542631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).