4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

C19H14N4O3 — CID 169328181

IUPAC4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCc1cccc(-c2ccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)cc2)n1
InChIInChI=1S/C19H14N4O3/c1-10-3-2-4-14(21-10)11-5-7-12(8-6-11)23-15(24)9-13-16(17(23)20)19(26)22-18(13)25/h2-9H,20H2,1H3,(H,22,25,26)
InChIKeyGKTWDHYUVRIEIV-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.67
Rot. Bonds2

About 4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169328181) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169328181
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCc1cccc(-c2ccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)cc2)n1
InChIInChI=1S/C19H14N4O3/c1-10-3-2-4-14(21-10)11-5-7-12(8-6-11)23-15(24)9-13-16(17(23)20)19(26)22-18(13)25/h2-9H,20H2,1H3,(H,22,25,26)
InChIKeyGKTWDHYUVRIEIV-UHFFFAOYSA-N
XLogP1.67
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169328181) is 4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is Cc1cccc(-c2ccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)cc2)n1.
What is the InChIKey of 4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is GKTWDHYUVRIEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c1-10-3-2-4-14(21-10)11-5-7-12(8-6-11)23-15(24)9-13-16(17(23)20)19(26)22-18(13)25/h2-9H,20H2,1H3,(H,22,25,26).
What are the key properties of 4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 346.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169328181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).