N-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide

C25H19F2N3O4 — CID 146525613

IUPACN-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide
SMILESCC1Oc2ncc(C(=O)NCc3cc4ccccc4o3)cc2N(Cc2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C25H19F2N3O4/c1-14-25(32)30(13-15-6-18(26)10-19(27)7-15)21-9-17(11-29-24(21)33-14)23(31)28-12-20-8-16-4-2-3-5-22(16)34-20/h2-11,14H,12-13H2,1H3,(H,28,31)
InChIKeyLNTVYDARIAUACW-UHFFFAOYSA-N
MW463.44 g/mol
LogP4.35
Rot. Bonds5

About N-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide

N-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide (PubChem CID 146525613) has the molecular formula C25H19F2N3O4 and a molecular weight of 463.44 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide
PubChem CID146525613
Molecular FormulaC25H19F2N3O4
Molecular Weight463.44 g/mol
Exact Mass463.13
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide
SMILESCC1Oc2ncc(C(=O)NCc3cc4ccccc4o3)cc2N(Cc2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C25H19F2N3O4/c1-14-25(32)30(13-15-6-18(26)10-19(27)7-15)21-9-17(11-29-24(21)33-14)23(31)28-12-20-8-16-4-2-3-5-22(16)34-20/h2-11,14H,12-13H2,1H3,(H,28,31)
InChIKeyLNTVYDARIAUACW-UHFFFAOYSA-N
XLogP4.35
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide (CID 146525613) is N-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide is CC1Oc2ncc(C(=O)NCc3cc4ccccc4o3)cc2N(Cc2cc(F)cc(F)c2)C1=O.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide?
The InChIKey is LNTVYDARIAUACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O4/c1-14-25(32)30(13-15-6-18(26)10-19(27)7-15)21-9-17(11-29-24(21)33-14)23(31)28-12-20-8-16-4-2-3-5-22(16)34-20/h2-11,14H,12-13H2,1H3,(H,28,31).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide?
N-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide has a molecular weight of 463.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]oxazine-7-carboxamide is sourced from PubChem (CID 146525613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).