3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide

C24H29N3O3 — CID 167146062

IUPAC3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide
SMILESCCN(CC)c1ccc2c(C)c(CCC(=O)NCCc3cccnc3)c(=O)oc2c1
InChIInChI=1S/C24H29N3O3/c1-4-27(5-2)19-8-9-20-17(3)21(24(29)30-22(20)15-19)10-11-23(28)26-14-12-18-7-6-13-25-16-18/h6-9,13,15-16H,4-5,10-12,14H2,1-3H3,(H,26,28)
InChIKeyRYAUNEICXYXDMO-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.63
Rot. Bonds9

About 3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide

3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide (PubChem CID 167146062) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide
PubChem CID167146062
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide
SMILESCCN(CC)c1ccc2c(C)c(CCC(=O)NCCc3cccnc3)c(=O)oc2c1
InChIInChI=1S/C24H29N3O3/c1-4-27(5-2)19-8-9-20-17(3)21(24(29)30-22(20)15-19)10-11-23(28)26-14-12-18-7-6-13-25-16-18/h6-9,13,15-16H,4-5,10-12,14H2,1-3H3,(H,26,28)
InChIKeyRYAUNEICXYXDMO-UHFFFAOYSA-N
XLogP3.63
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide?
The IUPAC name of 3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide (CID 167146062) is 3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for 3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide?
The canonical SMILES for 3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide is CCN(CC)c1ccc2c(C)c(CCC(=O)NCCc3cccnc3)c(=O)oc2c1.
What is the InChIKey of 3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide?
The InChIKey is RYAUNEICXYXDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-27(5-2)19-8-9-20-17(3)21(24(29)30-22(20)15-19)10-11-23(28)26-14-12-18-7-6-13-25-16-18/h6-9,13,15-16H,4-5,10-12,14H2,1-3H3,(H,26,28).
What are the key properties of 3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide?
3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide has a molecular weight of 407.51 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 167146062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).