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

C14H19N5O3 — CID 118786848

IUPACN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)c1cccn(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-18-7-3-4-11(14(18)21)13(20)15-6-5-12-17-16-10-19(12)8-9-22-2/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,20)
InChIKeyPBSYDVFDOMTHCF-UHFFFAOYSA-N
MW305.34 g/mol
LogP-0.40
Rot. Bonds7

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

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 118786848) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID118786848
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)c1cccn(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-18-7-3-4-11(14(18)21)13(20)15-6-5-12-17-16-10-19(12)8-9-22-2/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,20)
InChIKeyPBSYDVFDOMTHCF-UHFFFAOYSA-N
XLogP-0.40
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 118786848) is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide is COCCn1cnnc1CCNC(=O)c1cccn(C)c1=O.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is PBSYDVFDOMTHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-18-7-3-4-11(14(18)21)13(20)15-6-5-12-17-16-10-19(12)8-9-22-2/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,20).
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 305.34 g/mol, XLogP of -0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118786848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).