benzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C41H40Cl2F3N7O6 — CID 158469205

IUPACbenzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESNC(=O)c1ccccc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1cc(Cl)nc(Cl)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O3.C16H15Cl2N3O2.C7H7NO/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15;17-14-7-11(8-15(18)21-14)16(22)20-12-3-1-10(2-4-12)13-9-19-5-6-23-13;8-7(9)6-4-2-1-3-5-6/h1-6,9,15,22H,7-8,10-11H2,(H,24,25);1-4,7-8,13,19H,5-6,9H2,(H,20,22);1-5H,(H2,8,9)
InChIKeyHGDHLPAPKFBTGA-UHFFFAOYSA-N
MW854.71 g/mol
LogP7.02
Rot. Bonds9

About benzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

benzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 158469205) has the molecular formula C41H40Cl2F3N7O6 and a molecular weight of 854.71 g/mol. Its IUPAC name is benzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Namebenzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID158469205
Molecular FormulaC41H40Cl2F3N7O6
Molecular Weight854.71 g/mol
Exact Mass853.24
IUPAC Namebenzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESNC(=O)c1ccccc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1cc(Cl)nc(Cl)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O3.C16H15Cl2N3O2.C7H7NO/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15;17-14-7-11(8-15(18)21-14)16(22)20-12-3-1-10(2-4-12)13-9-19-5-6-23-13;8-7(9)6-4-2-1-3-5-6/h1-6,9,15,22H,7-8,10-11H2,(H,24,25);1-4,7-8,13,19H,5-6,9H2,(H,20,22);1-5H,(H2,8,9)
InChIKeyHGDHLPAPKFBTGA-UHFFFAOYSA-N
XLogP7.02
TPSA178.82 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.71
LogP ≤ 57.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56836056
N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 66705789
N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67240475
N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide
CID 67241915
6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71086744
6-ethoxy-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71086834
N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 71086851
6-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71086945
N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 71086970
US9663530, Example 13
CID 118541750
[(2R,3S)-3-[4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127046995
[4-[5-(4-fluorophenyl)-6-[(3S)-pyrrolidin-3-yl]oxypyridine-3-carbonyl]piperazin-1-yl]-(3-fluoro-5-piperazin-1-ylphenyl)methanone;dihydrochloride
CID 127052784

Frequently Asked Questions

What is the IUPAC name of benzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of benzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 158469205) is benzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for benzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for benzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is NC(=O)c1ccccc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1cc(Cl)nc(Cl)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of benzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is HGDHLPAPKFBTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3.C16H15Cl2N3O2.C7H7NO/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15;17-14-7-11(8-15(18)21-14)16(22)20-12-3-1-10(2-4-12)13-9-19-5-6-23-13;8-7(9)6-4-2-1-3-5-6/h1-6,9,15,22H,7-8,10-11H2,(H,24,25);1-4,7-8,13,19H,5-6,9H2,(H,20,22);1-5H,(H2,8,9).
What are the key properties of benzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
benzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 854.71 g/mol, XLogP of 7.02, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 158469205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).