N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride

C17H18ClF2N5O2 — CID 140595606

IUPACN-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride
SMILESCc1cnc(C(=O)Nc2cccc(C3(C(F)F)COCC(N)=N3)c2)cn1.Cl
InChIInChI=1S/C17H17F2N5O2.ClH/c1-10-6-22-13(7-21-10)15(25)23-12-4-2-3-11(5-12)17(16(18)19)9-26-8-14(20)24-17;/h2-7,16H,8-9H2,1H3,(H2,20,24)(H,23,25);1H
InChIKeyQUBTZVNEBIHCTI-UHFFFAOYSA-N
MW397.81 g/mol
LogP2.31
Rot. Bonds4

About N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride

N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride (PubChem CID 140595606) has the molecular formula C17H18ClF2N5O2 and a molecular weight of 397.81 g/mol. Its IUPAC name is N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride
PubChem CID140595606
Molecular FormulaC17H18ClF2N5O2
Molecular Weight397.81 g/mol
Exact Mass397.11
IUPAC NameN-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride
SMILESCc1cnc(C(=O)Nc2cccc(C3(C(F)F)COCC(N)=N3)c2)cn1.Cl
InChIInChI=1S/C17H17F2N5O2.ClH/c1-10-6-22-13(7-21-10)15(25)23-12-4-2-3-11(5-12)17(16(18)19)9-26-8-14(20)24-17;/h2-7,16H,8-9H2,1H3,(H2,20,24)(H,23,25);1H
InChIKeyQUBTZVNEBIHCTI-UHFFFAOYSA-N
XLogP2.31
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.81
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride
CID 140586559
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 50914687
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-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyrazine-2-carboxamide
CID 87096366
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 50991585
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 66666032
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-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-prop-2-ynoxypyrazine-2-carboxamide;hydrochloride
CID 140600732
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 140586555
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide
CID 50991953
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride (CID 140595606) is N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride is Cc1cnc(C(=O)Nc2cccc(C3(C(F)F)COCC(N)=N3)c2)cn1.Cl.
What is the InChIKey of N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride?
The InChIKey is QUBTZVNEBIHCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O2.ClH/c1-10-6-22-13(7-21-10)15(25)23-12-4-2-3-11(5-12)17(16(18)19)9-26-8-14(20)24-17;/h2-7,16H,8-9H2,1H3,(H2,20,24)(H,23,25);1H.
What are the key properties of N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride?
N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride has a molecular weight of 397.81 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 140595606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).