N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide

C20H20N2O3 — CID 3242274

IUPACN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide
SMILESCc1cc(NC(=O)C2CCCCC2)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C20H20N2O3/c1-12-11-16(22-19(23)13-7-3-2-4-8-13)21-18-14-9-5-6-10-15(14)25-20(24)17(12)18/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,21,22,23)
InChIKeyYWQDODSJXMHTFS-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.17
Rot. Bonds2

About N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide

N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide (PubChem CID 3242274) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide
PubChem CID3242274
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide
SMILESCc1cc(NC(=O)C2CCCCC2)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C20H20N2O3/c1-12-11-16(22-19(23)13-7-3-2-4-8-13)21-18-14-9-5-6-10-15(14)25-20(24)17(12)18/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,21,22,23)
InChIKeyYWQDODSJXMHTFS-UHFFFAOYSA-N
XLogP4.17
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide (CID 3242274) is N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide is Cc1cc(NC(=O)C2CCCCC2)nc2c1c(=O)oc1ccccc12.
What is the InChIKey of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide?
The InChIKey is YWQDODSJXMHTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-11-16(22-19(23)13-7-3-2-4-8-13)21-18-14-9-5-6-10-15(14)25-20(24)17(12)18/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,21,22,23).
What are the key properties of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide?
N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide has a molecular weight of 336.39 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 3242274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).