7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide

C18H18ClFN2O3 — CID 134396255

IUPAC7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide
SMILESCON(C)C(=O)C1CCc2c(-c3ccc(C)cc3F)cc(Cl)nc2O1
InChIInChI=1S/C18H18ClFN2O3/c1-10-4-5-11(14(20)8-10)13-9-16(19)21-17-12(13)6-7-15(25-17)18(23)22(2)24-3/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyJDTNCIGDXFNEOQ-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.56
Rot. Bonds3

About 7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide

7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide (PubChem CID 134396255) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is 7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide
PubChem CID134396255
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC Name7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide
SMILESCON(C)C(=O)C1CCc2c(-c3ccc(C)cc3F)cc(Cl)nc2O1
InChIInChI=1S/C18H18ClFN2O3/c1-10-4-5-11(14(20)8-10)13-9-16(19)21-17-12(13)6-7-15(25-17)18(23)22(2)24-3/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyJDTNCIGDXFNEOQ-UHFFFAOYSA-N
XLogP3.56
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide (CID 134396255) is 7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide is CON(C)C(=O)C1CCc2c(-c3ccc(C)cc3F)cc(Cl)nc2O1.
What is the InChIKey of 7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide?
The InChIKey is JDTNCIGDXFNEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c1-10-4-5-11(14(20)8-10)13-9-16(19)21-17-12(13)6-7-15(25-17)18(23)22(2)24-3/h4-5,8-9,15H,6-7H2,1-3H3.
What are the key properties of 7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide?
7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide has a molecular weight of 364.80 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 134396255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).