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

C14H13BrN4O2 — CID 167929370

IUPAC4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1cc2c(Br)ccnc2[nH]1
InChIInChI=1S/C14H13BrN4O2/c1-7-10(8(2)21-19-7)6-17-14(20)12-5-9-11(15)3-4-16-13(9)18-12/h3-5H,6H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyBVIIUXDLGDKMAC-UHFFFAOYSA-N
MW349.19 g/mol
LogP2.86
Rot. Bonds3

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

4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 167929370) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is 4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID167929370
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Name4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1cc2c(Br)ccnc2[nH]1
InChIInChI=1S/C14H13BrN4O2/c1-7-10(8(2)21-19-7)6-17-14(20)12-5-9-11(15)3-4-16-13(9)18-12/h3-5H,6H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyBVIIUXDLGDKMAC-UHFFFAOYSA-N
XLogP2.86
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide
CID 103707100
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide
CID 91775860
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 47916064
4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-nitrobenzamide
CID 47862981
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide
CID 102705730
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070606
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
CID 106686991
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627877
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide
CID 47861587
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103865338

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 167929370) is 4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is Cc1noc(C)c1CNC(=O)c1cc2c(Br)ccnc2[nH]1.
What is the InChIKey of 4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is BVIIUXDLGDKMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c1-7-10(8(2)21-19-7)6-17-14(20)12-5-9-11(15)3-4-16-13(9)18-12/h3-5H,6H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of 4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 349.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167929370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).