N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide

C19H20N4O5 — CID 169329586

IUPACN-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)ccc1NC(=O)C(C)(C)C
InChIInChI=1S/C19H20N4O5/c1-19(2,3)18(27)21-11-6-5-9(7-12(11)28-4)23-13(24)8-10-14(15(23)20)17(26)22-16(10)25/h5-8H,20H2,1-4H3,(H,21,27)(H,22,25,26)
InChIKeyOKCBYROXLIUYON-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.30
Rot. Bonds3

About N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide

N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide (PubChem CID 169329586) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide
PubChem CID169329586
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)ccc1NC(=O)C(C)(C)C
InChIInChI=1S/C19H20N4O5/c1-19(2,3)18(27)21-11-6-5-9(7-12(11)28-4)23-13(24)8-10-14(15(23)20)17(26)22-16(10)25/h5-8H,20H2,1-4H3,(H,21,27)(H,22,25,26)
InChIKeyOKCBYROXLIUYON-UHFFFAOYSA-N
XLogP1.30
TPSA132.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide
CID 169327804
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzoic acid
CID 169326983
5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide
CID 169329629
5-(4-acetyl-2-methoxyphenyl)-4-aminopyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328364
4-amino-5-[3-chloro-4-(4-methoxyphenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329813
2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4,5-dimethoxybenzamide
CID 169330065
ethyl 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)benzoate
CID 169326707
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide
CID 169327765
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
4-amino-5-(2,3-dimethylquinoxalin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330627
methyl 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-5-ethylsulfonyl-2-methoxybenzoate
CID 169331357
4-amino-5-[4-chloro-3-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330416

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide (CID 169329586) is N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide is COc1cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)ccc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide?
The InChIKey is OKCBYROXLIUYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-19(2,3)18(27)21-11-6-5-9(7-12(11)28-4)23-13(24)8-10-14(15(23)20)17(26)22-16(10)25/h5-8H,20H2,1-4H3,(H,21,27)(H,22,25,26).
What are the key properties of N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide?
N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide has a molecular weight of 384.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 169329586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).