N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide

C13H17N5O3 — CID 90651777

IUPACN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H17N5O3/c1-21-8-7-18-9-16-17-11(18)4-6-15-13(20)10-3-2-5-14-12(10)19/h2-3,5,9H,4,6-8H2,1H3,(H,14,19)(H,15,20)
InChIKeyHXAZSSALHFHSNM-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.41
Rot. Bonds7

About N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 90651777) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID90651777
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H17N5O3/c1-21-8-7-18-9-16-17-11(18)4-6-15-13(20)10-3-2-5-14-12(10)19/h2-3,5,9H,4,6-8H2,1H3,(H,14,19)(H,15,20)
InChIKeyHXAZSSALHFHSNM-UHFFFAOYSA-N
XLogP-0.41
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 90651777) is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide is COCCn1cnnc1CCNC(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HXAZSSALHFHSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-21-8-7-18-9-16-17-11(18)4-6-15-13(20)10-3-2-5-14-12(10)19/h2-3,5,9H,4,6-8H2,1H3,(H,14,19)(H,15,20).
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of -0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90651777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).