6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H18N4O2 — CID 42930421

IUPAC6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)NC(C)c3ccncc3)c12
InChIInChI=1S/C18H18N4O2/c1-10(12-5-7-19-8-6-12)20-17(23)14-9-15(13-3-4-13)21-18-16(14)11(2)22-24-18/h5-10,13H,3-4H2,1-2H3,(H,20,23)
InChIKeyZGFJJXVCFDEKPY-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.29
Rot. Bonds4

About 6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 42930421) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID42930421
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)NC(C)c3ccncc3)c12
InChIInChI=1S/C18H18N4O2/c1-10(12-5-7-19-8-6-12)20-17(23)14-9-15(13-3-4-13)21-18-16(14)11(2)22-24-18/h5-10,13H,3-4H2,1-2H3,(H,20,23)
InChIKeyZGFJJXVCFDEKPY-UHFFFAOYSA-N
XLogP3.29
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(3,5-dimethylisoxazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280244
US11306078, Example 4.054
CID 141678083
US11306078, Example 4.033
CID 141678152
6-cyclopropyl-3-methyl-N-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25980030
3-Methyl-N~4~-(4-methyl-2-pyridyl)-6-(3-nitrophenyl)isoxazolo[5,4-B]pyridine-4-carboxamide
CID 44522102
6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 118740573
5-phenyl-N-[3-(pyridine-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 60167732
US11306078, Example 2.079
CID 134209833
US11306078, Example 1.123a
CID 138676322
US11306078, Example 1.171b
CID 141677903
US11306078, Example 1.197
CID 141677907
US11306078, Example 4.082
CID 141677970

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 42930421) is 6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C3CC3)cc(C(=O)NC(C)c3ccncc3)c12.
What is the InChIKey of 6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZGFJJXVCFDEKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-10(12-5-7-19-8-6-12)20-17(23)14-9-15(13-3-4-13)21-18-16(14)11(2)22-24-18/h5-10,13H,3-4H2,1-2H3,(H,20,23).
What are the key properties of 6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-methyl-N-(1-pyridin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 42930421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).