N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide

C18H26N6O3 — CID 172658306

IUPACN-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
SMILESCCc1nc(NC(=O)c2c(C)ccn(CCN3CCOCC3)c2=O)nn1C
InChIInChI=1S/C18H26N6O3/c1-4-14-19-18(21-22(14)3)20-16(25)15-13(2)5-6-24(17(15)26)8-7-23-9-11-27-12-10-23/h5-6H,4,7-12H2,1-3H3,(H,20,21,25)
InChIKeyUKUSXULCLPZTRQ-UHFFFAOYSA-N
MW374.45 g/mol
LogP0.43
Rot. Bonds6

About N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide

N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide (PubChem CID 172658306) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
PubChem CID172658306
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC NameN-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
SMILESCCc1nc(NC(=O)c2c(C)ccn(CCN3CCOCC3)c2=O)nn1C
InChIInChI=1S/C18H26N6O3/c1-4-14-19-18(21-22(14)3)20-16(25)15-13(2)5-6-24(17(15)26)8-7-23-9-11-27-12-10-23/h5-6H,4,7-12H2,1-3H3,(H,20,21,25)
InChIKeyUKUSXULCLPZTRQ-UHFFFAOYSA-N
XLogP0.43
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide (CID 172658306) is N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide is CCc1nc(NC(=O)c2c(C)ccn(CCN3CCOCC3)c2=O)nn1C.
What is the InChIKey of N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
The InChIKey is UKUSXULCLPZTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-4-14-19-18(21-22(14)3)20-16(25)15-13(2)5-6-24(17(15)26)8-7-23-9-11-27-12-10-23/h5-6H,4,7-12H2,1-3H3,(H,20,21,25).
What are the key properties of N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172658306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).