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

C11H13N5O2 — CID 61217309

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)[nH]c1)c1nncn1C
InChIInChI=1S/C11H13N5O2/c1-7(10-15-13-6-16(10)2)14-11(18)8-3-4-9(17)12-5-8/h3-7H,1-2H3,(H,12,17)(H,14,18)
InChIKeyBPEZDEBOUUMXIQ-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.01
Rot. Bonds3

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

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 61217309) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID61217309
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)[nH]c1)c1nncn1C
InChIInChI=1S/C11H13N5O2/c1-7(10-15-13-6-16(10)2)14-11(18)8-3-4-9(17)12-5-8/h3-7H,1-2H3,(H,12,17)(H,14,18)
InChIKeyBPEZDEBOUUMXIQ-UHFFFAOYSA-N
XLogP-0.01
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 97313855
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CID 126440041
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CID 164639552
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CID 56916955
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CID 95563295

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 61217309) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc(=O)[nH]c1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BPEZDEBOUUMXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7(10-15-13-6-16(10)2)14-11(18)8-3-4-9(17)12-5-8/h3-7H,1-2H3,(H,12,17)(H,14,18).
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 247.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 61217309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).