6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide

C20H23F2N3O3 — CID 155727924

IUPAC6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(Nc2cc(F)cc(F)c2)nc1C(=O)NC(C)C1CCOCC1
InChIInChI=1S/C20H23F2N3O3/c1-12(13-5-7-28-8-6-13)23-20(26)19-17(27-2)3-4-18(25-19)24-16-10-14(21)9-15(22)11-16/h3-4,9-13H,5-8H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyHNWKTXDSCFBHBS-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.66
Rot. Bonds6

About 6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide

6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide (PubChem CID 155727924) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is 6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide
PubChem CID155727924
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(Nc2cc(F)cc(F)c2)nc1C(=O)NC(C)C1CCOCC1
InChIInChI=1S/C20H23F2N3O3/c1-12(13-5-7-28-8-6-13)23-20(26)19-17(27-2)3-4-18(25-19)24-16-10-14(21)9-15(22)11-16/h3-4,9-13H,5-8H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyHNWKTXDSCFBHBS-UHFFFAOYSA-N
XLogP3.66
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.66
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-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide (CID 155727924) is 6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide is COc1ccc(Nc2cc(F)cc(F)c2)nc1C(=O)NC(C)C1CCOCC1.
What is the InChIKey of 6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is HNWKTXDSCFBHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-12(13-5-7-28-8-6-13)23-20(26)19-17(27-2)3-4-18(25-19)24-16-10-14(21)9-15(22)11-16/h3-4,9-13H,5-8H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide?
6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 3.66, 6 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-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 155727924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).