N-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide

C22H26FN3O2 — CID 134312518

IUPACN-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide
SMILESCN1CCOc2c(Cc3ccc(F)cc3)cc(C(=O)NC3CCCCC3)nc21
InChIInChI=1S/C22H26FN3O2/c1-26-11-12-28-20-16(13-15-7-9-17(23)10-8-15)14-19(25-21(20)26)22(27)24-18-5-3-2-4-6-18/h7-10,14,18H,2-6,11-13H2,1H3,(H,24,27)
InChIKeyKMRVQCHJVMWCLS-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.70
Rot. Bonds4

About N-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide

N-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide (PubChem CID 134312518) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide
PubChem CID134312518
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide
SMILESCN1CCOc2c(Cc3ccc(F)cc3)cc(C(=O)NC3CCCCC3)nc21
InChIInChI=1S/C22H26FN3O2/c1-26-11-12-28-20-16(13-15-7-9-17(23)10-8-15)14-19(25-21(20)26)22(27)24-18-5-3-2-4-6-18/h7-10,14,18H,2-6,11-13H2,1H3,(H,24,27)
InChIKeyKMRVQCHJVMWCLS-UHFFFAOYSA-N
XLogP3.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide (CID 134312518) is N-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide is CN1CCOc2c(Cc3ccc(F)cc3)cc(C(=O)NC3CCCCC3)nc21.
What is the InChIKey of N-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide?
The InChIKey is KMRVQCHJVMWCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-26-11-12-28-20-16(13-15-7-9-17(23)10-8-15)14-19(25-21(20)26)22(27)24-18-5-3-2-4-6-18/h7-10,14,18H,2-6,11-13H2,1H3,(H,24,27).
What are the key properties of N-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide?
N-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 134312518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).