N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C14H13N5O3 — CID 136536829

IUPACN-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccn3c(=O)[nH]nc23)nc1
InChIInChI=1S/C14H13N5O3/c1-22-10-5-4-9(15-8-10)7-16-13(20)11-3-2-6-19-12(11)17-18-14(19)21/h2-6,8H,7H2,1H3,(H,16,20)(H,18,21)
InChIKeyHNYJLEHLSMYRDK-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.36
Rot. Bonds4

About N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 136536829) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID136536829
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC NameN-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccn3c(=O)[nH]nc23)nc1
InChIInChI=1S/C14H13N5O3/c1-22-10-5-4-9(15-8-10)7-16-13(20)11-3-2-6-19-12(11)17-18-14(19)21/h2-6,8H,7H2,1H3,(H,16,20)(H,18,21)
InChIKeyHNYJLEHLSMYRDK-UHFFFAOYSA-N
XLogP0.36
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide with MolForge

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Related Compounds

2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 118632770
(5S,7R)-N-[(5-methoxy-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115459
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367467
N-[(4-methoxyphenyl)methyl]-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 1251337
N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 136521961
1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 136523952
2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide
CID 139307046
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
2-[(4-methoxybenzoyl)amino]-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]benzamide
CID 55976559
6-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803194
N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide
CID 91065050

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 136536829) is N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is COc1ccc(CNC(=O)c2cccn3c(=O)[nH]nc23)nc1.
What is the InChIKey of N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is HNYJLEHLSMYRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-22-10-5-4-9(15-8-10)7-16-13(20)11-3-2-6-19-12(11)17-18-14(19)21/h2-6,8H,7H2,1H3,(H,16,20)(H,18,21).
What are the key properties of N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 136536829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).