5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide

C19H20N4O2 — CID 167849852

IUPAC5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(N2CCCC2)c(C(=O)Nc2cnc3c(c2)CNC3=O)c1
InChIInChI=1S/C19H20N4O2/c1-12-4-5-16(23-6-2-3-7-23)15(8-12)18(24)22-14-9-13-10-21-19(25)17(13)20-11-14/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyBNBZLEXAHVMJKP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.49
Rot. Bonds3

About 5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide

5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 167849852) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide
PubChem CID167849852
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(N2CCCC2)c(C(=O)Nc2cnc3c(c2)CNC3=O)c1
InChIInChI=1S/C19H20N4O2/c1-12-4-5-16(23-6-2-3-7-23)15(8-12)18(24)22-14-9-13-10-21-19(25)17(13)20-11-14/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyBNBZLEXAHVMJKP-UHFFFAOYSA-N
XLogP2.49
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 119516134
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
CID 117309750
2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid
CID 119348543
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 1320461
2-(azepan-1-yl)-N-(3-methylphenyl)-5-nitrobenzamide
CID 2948692
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 111484468
2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967930
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide (CID 167849852) is 5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide is Cc1ccc(N2CCCC2)c(C(=O)Nc2cnc3c(c2)CNC3=O)c1.
What is the InChIKey of 5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is BNBZLEXAHVMJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-4-5-16(23-6-2-3-7-23)15(8-12)18(24)22-14-9-13-10-21-19(25)17(13)20-11-14/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide?
5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 336.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 167849852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).