N-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide

C24H20N2O3 — CID 4886740

IUPACN-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)N(Cc3ccccc3)c3ccccn3)cc(=O)c2c1
InChIInChI=1S/C24H20N2O3/c1-16-12-17(2)23-19(13-16)20(27)14-21(29-23)24(28)26(22-10-6-7-11-25-22)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3
InChIKeyXIEPHMPYYYCSBT-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.65
Rot. Bonds4

About N-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide

N-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide (PubChem CID 4886740) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide
PubChem CID4886740
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC NameN-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)N(Cc3ccccc3)c3ccccn3)cc(=O)c2c1
InChIInChI=1S/C24H20N2O3/c1-16-12-17(2)23-19(13-16)20(27)14-21(29-23)24(28)26(22-10-6-7-11-25-22)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3
InChIKeyXIEPHMPYYYCSBT-UHFFFAOYSA-N
XLogP4.65
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide?
The IUPAC name of N-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide (CID 4886740) is N-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide.
What is the SMILES notation for N-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide?
The canonical SMILES for N-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide is Cc1cc(C)c2oc(C(=O)N(Cc3ccccc3)c3ccccn3)cc(=O)c2c1.
What is the InChIKey of N-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide?
The InChIKey is XIEPHMPYYYCSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-16-12-17(2)23-19(13-16)20(27)14-21(29-23)24(28)26(22-10-6-7-11-25-22)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3.
What are the key properties of N-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide?
N-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide is sourced from PubChem (CID 4886740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).