5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide

C14H16FN5O3 — CID 136554348

IUPAC5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCc1nc2n(n1)CC(NC(=O)c1cc(F)c[nH]c1=O)CC2
InChIInChI=1S/C14H16FN5O3/c1-23-7-11-18-12-3-2-9(6-20(12)19-11)17-14(22)10-4-8(15)5-16-13(10)21/h4-5,9H,2-3,6-7H2,1H3,(H,16,21)(H,17,22)
InChIKeyGTZNLRAKBQRVBH-UHFFFAOYSA-N
MW321.31 g/mol
LogP-0.00
Rot. Bonds4

About 5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide

5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 136554348) has the molecular formula C14H16FN5O3 and a molecular weight of 321.31 g/mol. Its IUPAC name is 5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID136554348
Molecular FormulaC14H16FN5O3
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC Name5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCc1nc2n(n1)CC(NC(=O)c1cc(F)c[nH]c1=O)CC2
InChIInChI=1S/C14H16FN5O3/c1-23-7-11-18-12-3-2-9(6-20(12)19-11)17-14(22)10-4-8(15)5-16-13(10)21/h4-5,9H,2-3,6-7H2,1H3,(H,16,21)(H,17,22)
InChIKeyGTZNLRAKBQRVBH-UHFFFAOYSA-N
XLogP-0.00
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
CID 132300460
N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide
CID 136554339
2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide
CID 166417366
3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72142801
6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 75534495
3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 96016284
3-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 96016285
1-[2-(Methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 109731314
1-[2-(Methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 109731315
1-Ethyl-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 109731316
1-Ethyl-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 109731317
1-Ethyl-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 109733636

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 136554348) is 5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide is COCc1nc2n(n1)CC(NC(=O)c1cc(F)c[nH]c1=O)CC2.
What is the InChIKey of 5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GTZNLRAKBQRVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O3/c1-23-7-11-18-12-3-2-9(6-20(12)19-11)17-14(22)10-4-8(15)5-16-13(10)21/h4-5,9H,2-3,6-7H2,1H3,(H,16,21)(H,17,22).
What are the key properties of 5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide?
5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 321.31 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 136554348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).