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

C16H23N5O3 — CID 119058957

IUPAC1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide
SMILESCCn1c(C)ccc(C(=O)NCCc2nncn2CCOC)c1=O
InChIInChI=1S/C16H23N5O3/c1-4-21-12(2)5-6-13(16(21)23)15(22)17-8-7-14-19-18-11-20(14)9-10-24-3/h5-6,11H,4,7-10H2,1-3H3,(H,17,22)
InChIKeyHFQIJVZMHWAXJT-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.39
Rot. Bonds8

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

1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 119058957) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide
PubChem CID119058957
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide
SMILESCCn1c(C)ccc(C(=O)NCCc2nncn2CCOC)c1=O
InChIInChI=1S/C16H23N5O3/c1-4-21-12(2)5-6-13(16(21)23)15(22)17-8-7-14-19-18-11-20(14)9-10-24-3/h5-6,11H,4,7-10H2,1-3H3,(H,17,22)
InChIKeyHFQIJVZMHWAXJT-UHFFFAOYSA-N
XLogP0.39
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 157016114
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 154565636
5-methoxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpyridine-4-carboxamide
CID 146043861
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589
4-cyano-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 121494229
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
CID 118765487
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 157012736
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 118789537
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91783809
4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide
CID 90649871
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide (CID 119058957) is 1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide is CCn1c(C)ccc(C(=O)NCCc2nncn2CCOC)c1=O.
What is the InChIKey of 1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is HFQIJVZMHWAXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-4-21-12(2)5-6-13(16(21)23)15(22)17-8-7-14-19-18-11-20(14)9-10-24-3/h5-6,11H,4,7-10H2,1-3H3,(H,17,22).
What are the key properties of 1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide?
1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 119058957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).