4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide

C20H18N4O3 — CID 91947735

IUPAC4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide
SMILESCc1c(C(=O)NCCCc2nnc3ccccn23)c(=O)oc2ccccc12
InChIInChI=1S/C20H18N4O3/c1-13-14-7-2-3-8-15(14)27-20(26)18(13)19(25)21-11-6-10-17-23-22-16-9-4-5-12-24(16)17/h2-5,7-9,12H,6,10-11H2,1H3,(H,21,25)
InChIKeyXUOCJBCKXPUMGU-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.51
Rot. Bonds5

About 4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide

4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide (PubChem CID 91947735) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide
PubChem CID91947735
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide
SMILESCc1c(C(=O)NCCCc2nnc3ccccn23)c(=O)oc2ccccc12
InChIInChI=1S/C20H18N4O3/c1-13-14-7-2-3-8-15(14)27-20(26)18(13)19(25)21-11-6-10-17-23-22-16-9-4-5-12-24(16)17/h2-5,7-9,12H,6,10-11H2,1H3,(H,21,25)
InChIKeyXUOCJBCKXPUMGU-UHFFFAOYSA-N
XLogP2.51
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide
CID 91947627
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806
5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
CID 91947820
5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 91947819
5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 91793630
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide
CID 172672246
2-(4-methylsulfonylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91769600
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 71707461
N-(3-hydroxybutyl)-4-methyl-2-oxochromene-3-carboxamide
CID 111840756
3,4,5-trimethoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 45496104
2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91772735
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide (CID 91947735) is 4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide is Cc1c(C(=O)NCCCc2nnc3ccccn23)c(=O)oc2ccccc12.
What is the InChIKey of 4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide?
The InChIKey is XUOCJBCKXPUMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13-14-7-2-3-8-15(14)27-20(26)18(13)19(25)21-11-6-10-17-23-22-16-9-4-5-12-24(16)17/h2-5,7-9,12H,6,10-11H2,1H3,(H,21,25).
What are the key properties of 4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide?
4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide is sourced from PubChem (CID 91947735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).