N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide

C18H19N5O4 — CID 169328395

IUPACN-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide
SMILESCc1ccc(NC(=O)CN(C)C)c(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1
InChIInChI=1S/C18H19N5O4/c1-9-4-5-11(20-13(24)8-22(2)3)12(6-9)23-14(25)7-10-15(16(23)19)18(27)21-17(10)26/h4-7H,8,19H2,1-3H3,(H,20,24)(H,21,26,27)
InChIKeyVKFIXALONNHFJP-UHFFFAOYSA-N
MW369.38 g/mol
LogP0.11
Rot. Bonds4

About N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide

N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide (PubChem CID 169328395) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide
PubChem CID169328395
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC NameN-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide
SMILESCc1ccc(NC(=O)CN(C)C)c(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1
InChIInChI=1S/C18H19N5O4/c1-9-4-5-11(20-13(24)8-22(2)3)12(6-9)23-14(25)7-10-15(16(23)19)18(27)21-17(10)26/h4-7H,8,19H2,1-3H3,(H,20,24)(H,21,26,27)
InChIKeyVKFIXALONNHFJP-UHFFFAOYSA-N
XLogP0.11
TPSA126.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 50.11
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-[3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]-2-(dimethylamino)acetamide
CID 169327801
N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-ethoxyphenyl]acetamide
CID 169327446
methyl 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]benzoate
CID 169328793
4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326967
4-amino-5-[3-(hydroxymethyl)naphthalen-2-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329605
methyl 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-iodobenzoate
CID 169330662
4-amino-5-(2,3,4-trifluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326725
4-amino-5-(4-bromo-3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327033
2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]-N-cyclopropylacetamide
CID 169327846
4-amino-5-[2-(2,2,2-trifluoroacetyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331034
2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4,5-dimethoxybenzamide
CID 169330065
4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327356

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide (CID 169328395) is N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide is Cc1ccc(NC(=O)CN(C)C)c(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1.
What is the InChIKey of N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide?
The InChIKey is VKFIXALONNHFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-9-4-5-11(20-13(24)8-22(2)3)12(6-9)23-14(25)7-10-15(16(23)19)18(27)21-17(10)26/h4-7H,8,19H2,1-3H3,(H,20,24)(H,21,26,27).
What are the key properties of N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide?
N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide has a molecular weight of 369.38 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methylphenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 169328395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).