N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C14H12N4O3 — CID 18133260

IUPACN-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ncccc2O)c2c(C)noc2n1
InChIInChI=1S/C14H12N4O3/c1-7-6-9(11-8(2)18-21-14(11)16-7)13(20)17-12-10(19)4-3-5-15-12/h3-6,19H,1-2H3,(H,15,17,20)
InChIKeyXVOODDXHKUVLOS-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.19
Rot. Bonds2

About N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18133260) has the molecular formula C14H12N4O3 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID18133260
Molecular FormulaC14H12N4O3
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC NameN-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ncccc2O)c2c(C)noc2n1
InChIInChI=1S/C14H12N4O3/c1-7-6-9(11-8(2)18-21-14(11)16-7)13(20)17-12-10(19)4-3-5-15-12/h3-6,19H,1-2H3,(H,15,17,20)
InChIKeyXVOODDXHKUVLOS-UHFFFAOYSA-N
XLogP2.19
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 18133260) is N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ncccc2O)c2c(C)noc2n1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XVOODDXHKUVLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-7-6-9(11-8(2)18-21-14(11)16-7)13(20)17-12-10(19)4-3-5-15-12/h3-6,19H,1-2H3,(H,15,17,20).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 284.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18133260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).