4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C15H16N4O2 — CID 166385896

IUPAC4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1cc(CCNC(=O)c2cnc3[nH]ccc3c2C)on1
InChIInChI=1S/C15H16N4O2/c1-9-7-11(21-19-9)3-5-17-15(20)13-8-18-14-12(10(13)2)4-6-16-14/h4,6-8H,3,5H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyRWNBVLRYQOYJPE-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.14
Rot. Bonds4

About 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 166385896) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID166385896
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1cc(CCNC(=O)c2cnc3[nH]ccc3c2C)on1
InChIInChI=1S/C15H16N4O2/c1-9-7-11(21-19-9)3-5-17-15(20)13-8-18-14-12(10(13)2)4-6-16-14/h4,6-8H,3,5H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyRWNBVLRYQOYJPE-UHFFFAOYSA-N
XLogP2.14
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 166385896) is 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1cc(CCNC(=O)c2cnc3[nH]ccc3c2C)on1.
What is the InChIKey of 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is RWNBVLRYQOYJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-7-11(21-19-9)3-5-17-15(20)13-8-18-14-12(10(13)2)4-6-16-14/h4,6-8H,3,5H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 166385896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).