N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide

C17H16F2N4O2 — CID 50991953

IUPACN-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide
SMILESCC1(c2cccc(NC(=O)c3ncc(F)cc3F)c2)COCC(N)=N1
InChIInChI=1S/C17H16F2N4O2/c1-17(9-25-8-14(20)23-17)10-3-2-4-12(5-10)22-16(24)15-13(19)6-11(18)7-21-15/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24)
InChIKeyAWZZTBXSMJAMSX-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.21
Rot. Bonds3

About N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide

N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide (PubChem CID 50991953) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide
PubChem CID50991953
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC NameN-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide
SMILESCC1(c2cccc(NC(=O)c3ncc(F)cc3F)c2)COCC(N)=N1
InChIInChI=1S/C17H16F2N4O2/c1-17(9-25-8-14(20)23-17)10-3-2-4-12(5-10)22-16(24)15-13(19)6-11(18)7-21-15/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24)
InChIKeyAWZZTBXSMJAMSX-UHFFFAOYSA-N
XLogP2.21
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 50991585
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 140595592
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-methylpyridine-2-carboxamide
CID 50914251
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-bromopyridine-2-carboxamide;hydrochloride
CID 66665851
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)-4-fluorophenyl]-5-bromo-3-methylpyridine-2-carboxamide
CID 50914977
N-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-fluoro-3-methylpyridine-2-carboxamide
CID 162589759
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride
CID 140595575
N-[3-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]phenyl]-3,5-difluoropyridine-2-carboxamide
CID 142391465
(5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57495971
N-[3-(3-amino-5-ethyl-6,6-difluoro-2,7-dihydro-1,4-oxazepin-5-yl)-4-fluorophenyl]-5-fluoro-3-methylpyridine-2-carboxamide
CID 67465305
N-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 54579581
N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride
CID 140595606

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide?
The IUPAC name of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide (CID 50991953) is N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide is CC1(c2cccc(NC(=O)c3ncc(F)cc3F)c2)COCC(N)=N1.
What is the InChIKey of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide?
The InChIKey is AWZZTBXSMJAMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c1-17(9-25-8-14(20)23-17)10-3-2-4-12(5-10)22-16(24)15-13(19)6-11(18)7-21-15/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24).
What are the key properties of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide?
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide is sourced from PubChem (CID 50991953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).