3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one

C20H18N4O2 — CID 172661390

IUPAC3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESCc1ccn(Cc2cccnc2)c(=O)c1C(=O)N1Cc2ccncc2C1
InChIInChI=1S/C20H18N4O2/c1-14-5-8-23(11-15-3-2-6-21-9-15)19(25)18(14)20(26)24-12-16-4-7-22-10-17(16)13-24/h2-10H,11-13H2,1H3
InChIKeyXFHOMNZMIMKYPC-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.15
Rot. Bonds3

About 3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one

3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one (PubChem CID 172661390) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
PubChem CID172661390
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESCc1ccn(Cc2cccnc2)c(=O)c1C(=O)N1Cc2ccncc2C1
InChIInChI=1S/C20H18N4O2/c1-14-5-8-23(11-15-3-2-6-21-9-15)19(25)18(14)20(26)24-12-16-4-7-22-10-17(16)13-24/h2-10H,11-13H2,1H3
InChIKeyXFHOMNZMIMKYPC-UHFFFAOYSA-N
XLogP2.15
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one with MolForge

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Related Compounds

4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 172661996
1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 172673002
4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172659977
4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172659920
4-methyl-2-oxo-1-(pyridin-3-ylmethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 172666114
N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172664117
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172658355
4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-pyridin-3-ylpyridine-3-carboxamide
CID 172671758
4-methyl-2-oxo-1-(2-phenylethyl)-N-pyridin-3-ylpyridine-3-carboxamide
CID 172656157
4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172670722
4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172670127
2-methyl-3-(4-methylpiperidine-1-carbonyl)-6-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-one
CID 20946776

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one (CID 172661390) is 3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one is Cc1ccn(Cc2cccnc2)c(=O)c1C(=O)N1Cc2ccncc2C1.
What is the InChIKey of 3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
The InChIKey is XFHOMNZMIMKYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14-5-8-23(11-15-3-2-6-21-9-15)19(25)18(14)20(26)24-12-16-4-7-22-10-17(16)13-24/h2-10H,11-13H2,1H3.
What are the key properties of 3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one has a molecular weight of 346.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 172661390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).