5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide

C24H17Cl2F4N5O3 — CID 90375492

IUPAC5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C[C@@H](C(F)(F)F)N=C(NC(=O)c2ccc(Cl)cn2)O1
InChIInChI=1S/C24H17Cl2F4N5O3/c1-23(15-8-14(4-5-16(15)27)33-20(36)17-6-2-12(25)10-31-17)9-19(24(28,29)30)34-22(38-23)35-21(37)18-7-3-13(26)11-32-18/h2-8,10-11,19H,9H2,1H3,(H,33,36)(H,34,35,37)/t19-,23-/m0/s1
InChIKeyHIHSWQIHAWTVBU-CVDCTZTESA-N
MW570.33 g/mol
LogP5.53
Rot. Bonds4

About 5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide

5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide (PubChem CID 90375492) has the molecular formula C24H17Cl2F4N5O3 and a molecular weight of 570.33 g/mol. Its IUPAC name is 5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide
PubChem CID90375492
Molecular FormulaC24H17Cl2F4N5O3
Molecular Weight570.33 g/mol
Exact Mass569.06
IUPAC Name5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C[C@@H](C(F)(F)F)N=C(NC(=O)c2ccc(Cl)cn2)O1
InChIInChI=1S/C24H17Cl2F4N5O3/c1-23(15-8-14(4-5-16(15)27)33-20(36)17-6-2-12(25)10-31-17)9-19(24(28,29)30)34-22(38-23)35-21(37)18-7-3-13(26)11-32-18/h2-8,10-11,19H,9H2,1H3,(H,33,36)(H,34,35,37)/t19-,23-/m0/s1
InChIKeyHIHSWQIHAWTVBU-CVDCTZTESA-N
XLogP5.53
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.33
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-4aH-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 53250003
N-[6-[(4S,6R)-2-benzamido-6-(difluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide
CID 90375280
N-[3-[(4S,5R,6R)-2-amino-5-fluoro-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 90303123
N-[3-[(1S,5R,6S,7S)-3-amino-7-methyl-5-(trifluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 126755089
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 71667733
[(6R)-6-[5-[(5-chloropyrazine-2-carbonyl)amino]-2-fluorophenyl]-5,5-difluoro-6-methyl-4H-1,3-oxazin-2-yl]carbamic acid
CID 89266667
N-[3-[(3R)-5-amino-3-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 72548199
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 75603740
N-[3-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-1,3-oxazinan-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 78225417
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 71667594
5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238140
N-[3-[(2S)-6-amino-4-(2-fluoroethylimino)-2,5,5-trimethyl-3H-pyridin-2-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 144715667

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide (CID 90375492) is 5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide is C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C[C@@H](C(F)(F)F)N=C(NC(=O)c2ccc(Cl)cn2)O1.
What is the InChIKey of 5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide?
The InChIKey is HIHSWQIHAWTVBU-CVDCTZTESA-N. The full InChI is InChI=1S/C24H17Cl2F4N5O3/c1-23(15-8-14(4-5-16(15)27)33-20(36)17-6-2-12(25)10-31-17)9-19(24(28,29)30)34-22(38-23)35-21(37)18-7-3-13(26)11-32-18/h2-8,10-11,19H,9H2,1H3,(H,33,36)(H,34,35,37)/t19-,23-/m0/s1.
What are the key properties of 5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide?
5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide has a molecular weight of 570.33 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[(4S,6S)-2-[(5-chloropyridine-2-carbonyl)amino]-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-2-carboxamide is sourced from PubChem (CID 90375492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).