N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide

C13H17N5O2 — CID 91790725

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCCC(NC(=O)c1cccc(=O)[nH]1)c1ncnn1CC
InChIInChI=1S/C13H17N5O2/c1-3-9(12-14-8-15-18(12)4-2)17-13(20)10-6-5-7-11(19)16-10/h5-9H,3-4H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyNSEYKOBUXJAPML-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.87
Rot. Bonds5

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide

N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 91790725) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID91790725
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCCC(NC(=O)c1cccc(=O)[nH]1)c1ncnn1CC
InChIInChI=1S/C13H17N5O2/c1-3-9(12-14-8-15-18(12)4-2)17-13(20)10-6-5-7-11(19)16-10/h5-9H,3-4H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyNSEYKOBUXJAPML-UHFFFAOYSA-N
XLogP0.87
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide (CID 91790725) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide is CCC(NC(=O)c1cccc(=O)[nH]1)c1ncnn1CC.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is NSEYKOBUXJAPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-9(12-14-8-15-18(12)4-2)17-13(20)10-6-5-7-11(19)16-10/h5-9H,3-4H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 91790725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).