6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C15H19N3O3 — CID 121338309

IUPAC6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCOCC2)c2cc[nH]c2c1=O
InChIInChI=1S/C15H19N3O3/c1-18-9-12(11-2-5-16-13(11)15(18)20)14(19)17-8-10-3-6-21-7-4-10/h2,5,9-10,16H,3-4,6-8H2,1H3,(H,17,19)
InChIKeyUWGXSGYQFNHFOW-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.02
Rot. Bonds3

About 6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 121338309) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID121338309
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCOCC2)c2cc[nH]c2c1=O
InChIInChI=1S/C15H19N3O3/c1-18-9-12(11-2-5-16-13(11)15(18)20)14(19)17-8-10-3-6-21-7-4-10/h2,5,9-10,16H,3-4,6-8H2,1H3,(H,17,19)
InChIKeyUWGXSGYQFNHFOW-UHFFFAOYSA-N
XLogP1.02
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 121338309) is 6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is Cn1cc(C(=O)NCC2CCOCC2)c2cc[nH]c2c1=O.
What is the InChIKey of 6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is UWGXSGYQFNHFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18-9-12(11-2-5-16-13(11)15(18)20)14(19)17-8-10-3-6-21-7-4-10/h2,5,9-10,16H,3-4,6-8H2,1H3,(H,17,19).
What are the key properties of 6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 121338309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).