3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide

C18H16N4O5 — CID 169327765

IUPAC3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1-n1c(N)c2c(cc1=O)C(=O)NC2=O
InChIInChI=1S/C18H16N4O5/c1-27-12-5-2-8(16(24)20-9-3-4-9)6-11(12)22-13(23)7-10-14(15(22)19)18(26)21-17(10)25/h2,5-7,9H,3-4,19H2,1H3,(H,20,24)(H,21,25,26)
InChIKeyMAYLHTUHNHAJRJ-UHFFFAOYSA-N
MW368.35 g/mol
LogP0.20
Rot. Bonds4

About 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide

3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide (PubChem CID 169327765) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide.

Molecular Properties

Compound Name3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide
PubChem CID169327765
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1-n1c(N)c2c(cc1=O)C(=O)NC2=O
InChIInChI=1S/C18H16N4O5/c1-27-12-5-2-8(16(24)20-9-3-4-9)6-11(12)22-13(23)7-10-14(15(22)19)18(26)21-17(10)25/h2,5-7,9H,3-4,19H2,1H3,(H,20,24)(H,21,25,26)
InChIKeyMAYLHTUHNHAJRJ-UHFFFAOYSA-N
XLogP0.20
TPSA132.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 50.20
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

3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-imidazol-1-ylbenzamide
CID 169329064
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropylbenzamide
CID 169327753
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N,4-dimethylbenzamide
CID 169327712
5-(4-acetyl-2-methoxyphenyl)-4-aminopyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328364
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methoxybenzenesulfonic acid
CID 169331490
2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4,5-dimethoxybenzamide
CID 169330065
2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]-N-cyclopropylacetamide
CID 169327846
4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327356
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 169331409
4-amino-5-(4,5-dimethoxy-2-sulfanylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329567
3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide
CID 172604568
methyl 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-6-fluoro-2-methylbenzoate
CID 169330767

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide?
The IUPAC name of 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide (CID 169327765) is 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide.
What is the SMILES notation for 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide?
The canonical SMILES for 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide is COc1ccc(C(=O)NC2CC2)cc1-n1c(N)c2c(cc1=O)C(=O)NC2=O.
What is the InChIKey of 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide?
The InChIKey is MAYLHTUHNHAJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-27-12-5-2-8(16(24)20-9-3-4-9)6-11(12)22-13(23)7-10-14(15(22)19)18(26)21-17(10)25/h2,5-7,9H,3-4,19H2,1H3,(H,20,24)(H,21,25,26).
What are the key properties of 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide?
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide has a molecular weight of 368.35 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide is sourced from PubChem (CID 169327765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).