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

C16H23N5O3 — CID 131891676

IUPACN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCOCCn1cnnc1C(C)NC(=O)c1c(C)cc(C)n(C)c1=O
InChIInChI=1S/C16H23N5O3/c1-10-8-11(2)20(4)16(23)13(10)15(22)18-12(3)14-19-17-9-21(14)6-7-24-5/h8-9,12H,6-7H2,1-5H3,(H,18,22)
InChIKeyUQZSMPKQEQRAJU-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.73
Rot. Bonds6

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

N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide (PubChem CID 131891676) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
PubChem CID131891676
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCOCCn1cnnc1C(C)NC(=O)c1c(C)cc(C)n(C)c1=O
InChIInChI=1S/C16H23N5O3/c1-10-8-11(2)20(4)16(23)13(10)15(22)18-12(3)14-19-17-9-21(14)6-7-24-5/h8-9,12H,6-7H2,1-5H3,(H,18,22)
InChIKeyUQZSMPKQEQRAJU-UHFFFAOYSA-N
XLogP0.73
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide (CID 131891676) is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide is COCCn1cnnc1C(C)NC(=O)c1c(C)cc(C)n(C)c1=O.
What is the InChIKey of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is UQZSMPKQEQRAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10-8-11(2)20(4)16(23)13(10)15(22)18-12(3)14-19-17-9-21(14)6-7-24-5/h8-9,12H,6-7H2,1-5H3,(H,18,22).
What are the key properties of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 131891676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).