6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C21H23N3O2 — CID 121334620

IUPAC6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCC1CCN(C(=O)c2ccc(-c3cn(C)c(=O)c4[nH]ccc34)cc2)CC1
InChIInChI=1S/C21H23N3O2/c1-14-8-11-24(12-9-14)20(25)16-5-3-15(4-6-16)18-13-23(2)21(26)19-17(18)7-10-22-19/h3-7,10,13-14,22H,8-9,11-12H2,1-2H3
InChIKeyFWJZLOBUUFWTJR-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.41
Rot. Bonds2

About 6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 121334620) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID121334620
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCC1CCN(C(=O)c2ccc(-c3cn(C)c(=O)c4[nH]ccc34)cc2)CC1
InChIInChI=1S/C21H23N3O2/c1-14-8-11-24(12-9-14)20(25)16-5-3-15(4-6-16)18-13-23(2)21(26)19-17(18)7-10-22-19/h3-7,10,13-14,22H,8-9,11-12H2,1-2H3
InChIKeyFWJZLOBUUFWTJR-UHFFFAOYSA-N
XLogP3.41
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 121334620) is 6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one is CC1CCN(C(=O)c2ccc(-c3cn(C)c(=O)c4[nH]ccc34)cc2)CC1.
What is the InChIKey of 6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is FWJZLOBUUFWTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-8-11-24(12-9-14)20(25)16-5-3-15(4-6-16)18-13-23(2)21(26)19-17(18)7-10-22-19/h3-7,10,13-14,22H,8-9,11-12H2,1-2H3.
What are the key properties of 6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 349.43 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 121334620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).