N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide

C13H18N6O2 — CID 126441554

IUPACN-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)c2nc(N)n[nH]2)c(=O)n(C)c1C
InChIInChI=1S/C13H18N6O2/c1-6-5-9(12(21)19(4)8(6)3)11(20)15-7(2)10-16-13(14)18-17-10/h5,7H,1-4H3,(H,15,20)(H3,14,16,17,18)/t7-/m0/s1
InChIKeyLZSKWJZNFXGDCO-ZETCQYMHSA-N
MW290.33 g/mol
LogP0.19
Rot. Bonds3

About N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide

N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide (PubChem CID 126441554) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
PubChem CID126441554
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)c2nc(N)n[nH]2)c(=O)n(C)c1C
InChIInChI=1S/C13H18N6O2/c1-6-5-9(12(21)19(4)8(6)3)11(20)15-7(2)10-16-13(14)18-17-10/h5,7H,1-4H3,(H,15,20)(H3,14,16,17,18)/t7-/m0/s1
InChIKeyLZSKWJZNFXGDCO-ZETCQYMHSA-N
XLogP0.19
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 126444591
3-(2-aminoethoxy)-N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-4-methylbenzamide
CID 126437818
N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide
CID 119072027
1,6-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-oxopyridine-3-carboxamide
CID 126435307
1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide
CID 154846283
5-amino-2-fluoro-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281069
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81380291
N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(3-butanoylindol-1-yl)acetamide
CID 126434146
5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide
CID 166227564
5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine
CID 172557070
2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide
CID 103874313
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806836

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide (CID 126441554) is N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C(=O)N[C@@H](C)c2nc(N)n[nH]2)c(=O)n(C)c1C.
What is the InChIKey of N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is LZSKWJZNFXGDCO-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-6-5-9(12(21)19(4)8(6)3)11(20)15-7(2)10-16-13(14)18-17-10/h5,7H,1-4H3,(H,15,20)(H3,14,16,17,18)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 126441554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).