N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide

C20H23N3O2 — CID 71839557

IUPACN-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
SMILESCCC(C)NC(=O)CC1c2ncccc2C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C20H23N3O2/c1-4-14(3)22-18(24)12-17-19-16(6-5-11-21-19)20(25)23(17)15-9-7-13(2)8-10-15/h5-11,14,17H,4,12H2,1-3H3,(H,22,24)
InChIKeyKGUGYPOSMNALST-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.40
Rot. Bonds5

About N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide

N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide (PubChem CID 71839557) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
PubChem CID71839557
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
SMILESCCC(C)NC(=O)CC1c2ncccc2C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C20H23N3O2/c1-4-14(3)22-18(24)12-17-19-16(6-5-11-21-19)20(25)23(17)15-9-7-13(2)8-10-15/h5-11,14,17H,4,12H2,1-3H3,(H,22,24)
InChIKeyKGUGYPOSMNALST-UHFFFAOYSA-N
XLogP3.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839544
N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide
CID 71839590
6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71839530
N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839563
(7R)-6-(4-methylphenyl)-7-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95114135
N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839482
N-(3-methylbutyl)-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839476
2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid
CID 53213909
N-cyclohexyl-2-[6-(4-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 53201079
2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide
CID 53201076
N-[(4-chlorophenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839489
7-[2-(azepan-1-yl)-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71839582

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide (CID 71839557) is N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide is CCC(C)NC(=O)CC1c2ncccc2C(=O)N1c1ccc(C)cc1.
What is the InChIKey of N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
The InChIKey is KGUGYPOSMNALST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-14(3)22-18(24)12-17-19-16(6-5-11-21-19)20(25)23(17)15-9-7-13(2)8-10-15/h5-11,14,17H,4,12H2,1-3H3,(H,22,24).
What are the key properties of N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 71839557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).