6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid

C28H33N3O4 — CID 156876603

IUPAC6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
SMILESCc1cc(C(C)Nc2ccc(C3CC3)nc2C(=O)O)c2oc(N3CCC(C)(C)CC3)cc(=O)c2c1
InChIInChI=1S/C28H33N3O4/c1-16-13-19(17(2)29-22-8-7-21(18-5-6-18)30-25(22)27(33)34)26-20(14-16)23(32)15-24(35-26)31-11-9-28(3,4)10-12-31/h7-8,13-15,17-18,29H,5-6,9-12H2,1-4H3,(H,33,34)
InChIKeyKAWJOVZRWHKHPU-UHFFFAOYSA-N
MW475.59 g/mol
LogP5.87
Rot. Bonds6

About 6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid

6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid (PubChem CID 156876603) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
PubChem CID156876603
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
SMILESCc1cc(C(C)Nc2ccc(C3CC3)nc2C(=O)O)c2oc(N3CCC(C)(C)CC3)cc(=O)c2c1
InChIInChI=1S/C28H33N3O4/c1-16-13-19(17(2)29-22-8-7-21(18-5-6-18)30-25(22)27(33)34)26-20(14-16)23(32)15-24(35-26)31-11-9-28(3,4)10-12-31/h7-8,13-15,17-18,29H,5-6,9-12H2,1-4H3,(H,33,34)
InChIKeyKAWJOVZRWHKHPU-UHFFFAOYSA-N
XLogP5.87
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid (CID 156876603) is 6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid is Cc1cc(C(C)Nc2ccc(C3CC3)nc2C(=O)O)c2oc(N3CCC(C)(C)CC3)cc(=O)c2c1.
What is the InChIKey of 6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid?
The InChIKey is KAWJOVZRWHKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-16-13-19(17(2)29-22-8-7-21(18-5-6-18)30-25(22)27(33)34)26-20(14-16)23(32)15-24(35-26)31-11-9-28(3,4)10-12-31/h7-8,13-15,17-18,29H,5-6,9-12H2,1-4H3,(H,33,34).
What are the key properties of 6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid?
6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid has a molecular weight of 475.59 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 156876603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).