N-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide

C30H33N3O4 — CID 54580383

IUPACN-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(NC(=O)c3ccncc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C30H33N3O4/c1-29(2)14-21-26(23(34)16-29)25(18-6-8-20(37-5)9-7-18)27-22(15-30(3,4)17-24(27)35)33(21)32-28(36)19-10-12-31-13-11-19/h6-13,25H,14-17H2,1-5H3,(H,32,36)
InChIKeyJLJPGAOFJJJEFG-UHFFFAOYSA-N
MW499.61 g/mol
LogP5.12
Rot. Bonds4

About N-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide

N-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide (PubChem CID 54580383) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is N-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide
PubChem CID54580383
Molecular FormulaC30H33N3O4
Molecular Weight499.61 g/mol
Exact Mass499.25
IUPAC NameN-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(NC(=O)c3ccncc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C30H33N3O4/c1-29(2)14-21-26(23(34)16-29)25(18-6-8-20(37-5)9-7-18)27-22(15-30(3,4)17-24(27)35)33(21)32-28(36)19-10-12-31-13-11-19/h6-13,25H,14-17H2,1-5H3,(H,32,36)
InChIKeyJLJPGAOFJJJEFG-UHFFFAOYSA-N
XLogP5.12
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide?
The IUPAC name of N-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide (CID 54580383) is N-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide is COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(NC(=O)c3ccncc3)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of N-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide?
The InChIKey is JLJPGAOFJJJEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-29(2)14-21-26(23(34)16-29)25(18-6-8-20(37-5)9-7-18)27-22(15-30(3,4)17-24(27)35)33(21)32-28(36)19-10-12-31-13-11-19/h6-13,25H,14-17H2,1-5H3,(H,32,36).
What are the key properties of N-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide?
N-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide has a molecular weight of 499.61 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide is sourced from PubChem (CID 54580383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).