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

C14H19N5O3 — CID 118783660

IUPACN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOCCn1cnnc1C(C)NC(=O)c1cccn(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-10(12-17-15-9-19(12)7-8-22-3)16-13(20)11-5-4-6-18(2)14(11)21/h4-6,9-10H,7-8H2,1-3H3,(H,16,20)
InChIKeySECQQFDCNMQKSH-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.11
Rot. Bonds6

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

N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 118783660) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID118783660
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOCCn1cnnc1C(C)NC(=O)c1cccn(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-10(12-17-15-9-19(12)7-8-22-3)16-13(20)11-5-4-6-18(2)14(11)21/h4-6,9-10H,7-8H2,1-3H3,(H,16,20)
InChIKeySECQQFDCNMQKSH-UHFFFAOYSA-N
XLogP0.11
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.11
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-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 118783660) is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide is COCCn1cnnc1C(C)NC(=O)c1cccn(C)c1=O.
What is the InChIKey of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is SECQQFDCNMQKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-10(12-17-15-9-19(12)7-8-22-3)16-13(20)11-5-4-6-18(2)14(11)21/h4-6,9-10H,7-8H2,1-3H3,(H,16,20).
What are the key properties of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[1-[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 0.11, 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-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118783660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).