5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide

C18H20F3N5O2 — CID 70162415

IUPAC5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cc(N)cnc1C(=O)NC1=CC=C(F)C([C@]2(C(F)F)COCC(N)=N2)C1
InChIInChI=1S/C18H20F3N5O2/c1-9-4-10(22)6-24-15(9)16(27)25-11-2-3-13(19)12(5-11)18(17(20)21)8-28-7-14(23)26-18/h2-4,6,12,17H,5,7-8,22H2,1H3,(H2,23,26)(H,25,27)/t12?,18-/m0/s1
InChIKeyVEXREOAQZCUUMI-ZJFPTPTDSA-N
MW395.39 g/mol
LogP1.85
Rot. Bonds4

About 5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide

5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide (PubChem CID 70162415) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide
PubChem CID70162415
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cc(N)cnc1C(=O)NC1=CC=C(F)C([C@]2(C(F)F)COCC(N)=N2)C1
InChIInChI=1S/C18H20F3N5O2/c1-9-4-10(22)6-24-15(9)16(27)25-11-2-3-13(19)12(5-11)18(17(20)21)8-28-7-14(23)26-18/h2-4,6,12,17H,5,7-8,22H2,1H3,(H2,23,26)(H,25,27)/t12?,18-/m0/s1
InChIKeyVEXREOAQZCUUMI-ZJFPTPTDSA-N
XLogP1.85
TPSA115.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide (CID 70162415) is 5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide is Cc1cc(N)cnc1C(=O)NC1=CC=C(F)C([C@]2(C(F)F)COCC(N)=N2)C1.
What is the InChIKey of 5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is VEXREOAQZCUUMI-ZJFPTPTDSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-9-4-10(22)6-24-15(9)16(27)25-11-2-3-13(19)12(5-11)18(17(20)21)8-28-7-14(23)26-18/h2-4,6,12,17H,5,7-8,22H2,1H3,(H2,23,26)(H,25,27)/t12?,18-/m0/s1.
What are the key properties of 5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide?
5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 70162415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).