N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide

C19H14ClF7N4O3 — CID 90373137

IUPACN-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
SMILESCOc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@]2(C(F)(F)F)C[C@@H](C(F)(F)F)OC(N)=N2)c1
InChIInChI=1S/C19H14ClF7N4O3/c1-33-12-4-8(20)7-29-14(12)15(32)30-9-2-3-11(21)10(5-9)17(19(25,26)27)6-13(18(22,23)24)34-16(28)31-17/h2-5,7,13H,6H2,1H3,(H2,28,31)(H,30,32)/t13-,17-/m0/s1
InChIKeyNZSNTOZRKOKPAT-GUYCJALGSA-N
MW514.79 g/mol
LogP4.56
Rot. Bonds4

About N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide

N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide (PubChem CID 90373137) has the molecular formula C19H14ClF7N4O3 and a molecular weight of 514.79 g/mol. Its IUPAC name is N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
PubChem CID90373137
Molecular FormulaC19H14ClF7N4O3
Molecular Weight514.79 g/mol
Exact Mass514.06
IUPAC NameN-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
SMILESCOc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@]2(C(F)(F)F)C[C@@H](C(F)(F)F)OC(N)=N2)c1
InChIInChI=1S/C19H14ClF7N4O3/c1-33-12-4-8(20)7-29-14(12)15(32)30-9-2-3-11(21)10(5-9)17(19(25,26)27)6-13(18(22,23)24)34-16(28)31-17/h2-5,7,13H,6H2,1H3,(H2,28,31)(H,30,32)/t13-,17-/m0/s1
InChIKeyNZSNTOZRKOKPAT-GUYCJALGSA-N
XLogP4.56
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.79
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide with MolForge

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Related Compounds

5-Ethoxy-Pyridine-2-Carboxylic Acid [3-((R)-2-Amino-5,5-Difluoro-4-Methyl-5,6-Dihydro-4h-[1,3]oxazin-4-Yl)-4-Fluoro-Phenyl]-Amide
CID 71305034
CID 53240812
CID 53240812
CID 53241933
CID 53241933
N-[3-(4-amino-2-methyl-1,3-benzoxazin-2-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 73353578
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 89870630
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-3-chloro-5-(difluoromethoxy)pyridine-2-carboxamide
CID 89870632
N-[3-[(4S)-2-amino-6-(fluoromethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyano-3-methoxypyridine-2-carboxamide
CID 89974894
N-[3-[(3S,4aR,7aS)-2-amino-3,4a-difluoro-3-methyl-5,7-dihydro-4H-furo[3,4-b]pyridin-7a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 126591378
N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide
CID 66558602
N-[2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 78104711
[4-[2-Chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone
CID 56659929
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 71663693

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide?
The IUPAC name of N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide (CID 90373137) is N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide is COc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@]2(C(F)(F)F)C[C@@H](C(F)(F)F)OC(N)=N2)c1.
What is the InChIKey of N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide?
The InChIKey is NZSNTOZRKOKPAT-GUYCJALGSA-N. The full InChI is InChI=1S/C19H14ClF7N4O3/c1-33-12-4-8(20)7-29-14(12)15(32)30-9-2-3-11(21)10(5-9)17(19(25,26)27)6-13(18(22,23)24)34-16(28)31-17/h2-5,7,13H,6H2,1H3,(H2,28,31)(H,30,32)/t13-,17-/m0/s1.
What are the key properties of N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide?
N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide has a molecular weight of 514.79 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 90373137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).