N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C16H18N4O3 — CID 111481180

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)c2ccc3nnc(C)n3c2)o1
InChIInChI=1S/C16H18N4O3/c1-10-4-6-13(23-10)16(3,22)9-17-15(21)12-5-7-14-19-18-11(2)20(14)8-12/h4-8,22H,9H2,1-3H3,(H,17,21)
InChIKeyUFUDELQFCSXOPS-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.58
Rot. Bonds4

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 111481180) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID111481180
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)c2ccc3nnc(C)n3c2)o1
InChIInChI=1S/C16H18N4O3/c1-10-4-6-13(23-10)16(3,22)9-17-15(21)12-5-7-14-19-18-11(2)20(14)8-12/h4-8,22H,9H2,1-3H3,(H,17,21)
InChIKeyUFUDELQFCSXOPS-UHFFFAOYSA-N
XLogP1.58
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111482211
N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111483300
1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide
CID 111481472
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,4-dimethylbenzamide
CID 111481218
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111912208
4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
CID 71869864
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 111474702
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methoxy-4-methylbenzamide
CID 111481052
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 111481565
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111481145
5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide
CID 111481159

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 111481180) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1ccc(C(C)(O)CNC(=O)c2ccc3nnc(C)n3c2)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is UFUDELQFCSXOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10-4-6-13(23-10)16(3,22)9-17-15(21)12-5-7-14-19-18-11(2)20(14)8-12/h4-8,22H,9H2,1-3H3,(H,17,21).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 111481180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).