6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide

C16H14N6O3 — CID 47013790

IUPAC6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NC(C)c1nnc2ccccn12
InChIInChI=1S/C16H14N6O3/c1-8(13-21-20-10-5-3-4-6-22(10)13)19-15(24)11-9(2)25-16-12(11)14(23)17-7-18-16/h3-8H,1-2H3,(H,19,24)(H,17,18,23)
InChIKeyLNJREFMDOMOMEL-UHFFFAOYSA-N
MW338.33 g/mol
LogP1.36
Rot. Bonds3

About 6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide

6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 47013790) has the molecular formula C16H14N6O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID47013790
Molecular FormulaC16H14N6O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NC(C)c1nnc2ccccn12
InChIInChI=1S/C16H14N6O3/c1-8(13-21-20-10-5-3-4-6-22(10)13)19-15(24)11-9(2)25-16-12(11)14(23)17-7-18-16/h3-8H,1-2H3,(H,19,24)(H,17,18,23)
InChIKeyLNJREFMDOMOMEL-UHFFFAOYSA-N
XLogP1.36
TPSA118.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[1-(furan-2-yl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073359
2-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 103762817
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 138996162
4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 47013078
(2R,3S)-2-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94508687
3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247608
3-methyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 26884680
2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide
CID 154774195
2,2-diphenyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7692945
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 126769962
N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474179
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 47013790) is 6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2nc[nH]c(=O)c2c1C(=O)NC(C)c1nnc2ccccn12.
What is the InChIKey of 6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LNJREFMDOMOMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3/c1-8(13-21-20-10-5-3-4-6-22(10)13)19-15(24)11-9(2)25-16-12(11)14(23)17-7-18-16/h3-8H,1-2H3,(H,19,24)(H,17,18,23).
What are the key properties of 6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 47013790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).