7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate

C24H26N2O4 — CID 144987123

IUPAC7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate
SMILESCNc1cnccc1C(=O)OC.COc1ccccc1-c1ccc2c(c1)OCCC2
InChIInChI=1S/C16H16O2.C8H10N2O2/c1-17-15-7-3-2-6-14(15)13-9-8-12-5-4-10-18-16(12)11-13;1-9-7-5-10-4-3-6(7)8(11)12-2/h2-3,6-9,11H,4-5,10H2,1H3;3-5,9H,1-2H3
InChIKeyJUNHVEXGPYCKIH-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.60
Rot. Bonds4

About 7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate

7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate (PubChem CID 144987123) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate
PubChem CID144987123
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate
SMILESCNc1cnccc1C(=O)OC.COc1ccccc1-c1ccc2c(c1)OCCC2
InChIInChI=1S/C16H16O2.C8H10N2O2/c1-17-15-7-3-2-6-14(15)13-9-8-12-5-4-10-18-16(12)11-13;1-9-7-5-10-4-3-6(7)8(11)12-2/h2-3,6-9,11H,4-5,10H2,1H3;3-5,9H,1-2H3
InChIKeyJUNHVEXGPYCKIH-UHFFFAOYSA-N
XLogP4.60
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate?
The IUPAC name of 7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate (CID 144987123) is 7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate.
What is the SMILES notation for 7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate?
The canonical SMILES for 7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate is CNc1cnccc1C(=O)OC.COc1ccccc1-c1ccc2c(c1)OCCC2.
What is the InChIKey of 7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate?
The InChIKey is JUNHVEXGPYCKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2.C8H10N2O2/c1-17-15-7-3-2-6-14(15)13-9-8-12-5-4-10-18-16(12)11-13;1-9-7-5-10-4-3-6(7)8(11)12-2/h2-3,6-9,11H,4-5,10H2,1H3;3-5,9H,1-2H3.
What are the key properties of 7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate?
7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate has a molecular weight of 406.48 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;methyl 3-(methylamino)pyridine-4-carboxylate is sourced from PubChem (CID 144987123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).