6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide

C19H19F2N3O3 — CID 155350378

IUPAC6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2cc(F)cc(F)c2)nc1C(=O)NC1COC2(CC2)C1
InChIInChI=1S/C19H19F2N3O3/c1-26-15-2-3-16(22-13-7-11(20)6-12(21)8-13)24-17(15)18(25)23-14-9-19(4-5-19)27-10-14/h2-3,6-8,14H,4-5,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeySSFODZUWALRIFO-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.16
Rot. Bonds5

About 6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide

6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide (PubChem CID 155350378) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide
PubChem CID155350378
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2cc(F)cc(F)c2)nc1C(=O)NC1COC2(CC2)C1
InChIInChI=1S/C19H19F2N3O3/c1-26-15-2-3-16(22-13-7-11(20)6-12(21)8-13)24-17(15)18(25)23-14-9-19(4-5-19)27-10-14/h2-3,6-8,14H,4-5,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeySSFODZUWALRIFO-UHFFFAOYSA-N
XLogP3.16
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide (CID 155350378) is 6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide is COc1ccc(Nc2cc(F)cc(F)c2)nc1C(=O)NC1COC2(CC2)C1.
What is the InChIKey of 6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide?
The InChIKey is SSFODZUWALRIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-26-15-2-3-16(22-13-7-11(20)6-12(21)8-13)24-17(15)18(25)23-14-9-19(4-5-19)27-10-14/h2-3,6-8,14H,4-5,9-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide?
6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 155350378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).