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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Related Compounds

6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338347
5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide
CID 71754032
6-methyl-4-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121338202
4-(4-methoxypiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121337676
tert-butyl 3-[(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonyl)amino]pyrrolidine-1-carboxylate;molecular hydrogen
CID 145081230
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338547
N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 106122361
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
N,6-dimethyl-7-oxo-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338530
2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63707297
6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide
CID 172654835
7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide
CID 58011401

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).