2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide

C50H51Cl3N8O6S — CID 160558275

IUPAC2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide
SMILESCSc1ccc(C(=O)Nc2ccc(C3CNCCO3)cc2)cc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(Cl)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C18H20N2O2S.C16H15Cl2N3O2.C16H16ClN3O2/c1-23-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-22-17;17-13-7-11(8-20-15(13)18)16(22)21-12-3-1-10(2-4-12)14-9-19-5-6-23-14;17-15-9-12(5-6-19-15)16(21)20-13-3-1-11(2-4-13)14-10-18-7-8-22-14/h2-9,17,19H,10-12H2,1H3,(H,20,21);1-4,7-8,14,19H,5-6,9H2,(H,21,22);1-6,9,14,18H,7-8,10H2,(H,20,21)
InChIKeyQYYYMFPCVNHZHU-UHFFFAOYSA-N
MW998.43 g/mol
LogP9.27
Rot. Bonds10

About 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide

2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide (PubChem CID 160558275) has the molecular formula C50H51Cl3N8O6S and a molecular weight of 998.43 g/mol. Its IUPAC name is 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide
PubChem CID160558275
Molecular FormulaC50H51Cl3N8O6S
Molecular Weight998.43 g/mol
Exact Mass996.27
IUPAC Name2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide
SMILESCSc1ccc(C(=O)Nc2ccc(C3CNCCO3)cc2)cc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(Cl)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C18H20N2O2S.C16H15Cl2N3O2.C16H16ClN3O2/c1-23-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-22-17;17-13-7-11(8-20-15(13)18)16(22)21-12-3-1-10(2-4-12)14-9-19-5-6-23-14;17-15-9-12(5-6-19-15)16(21)20-13-3-1-11(2-4-13)14-10-18-7-8-22-14/h2-9,17,19H,10-12H2,1H3,(H,20,21);1-4,7-8,14,19H,5-6,9H2,(H,21,22);1-6,9,14,18H,7-8,10H2,(H,20,21)
InChIKeyQYYYMFPCVNHZHU-UHFFFAOYSA-N
XLogP9.27
TPSA176.86 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500998.43
LogP ≤ 59.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 157374951
3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;3-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 157897985
2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 158370222
2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 158971419
2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159445616
3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 161457182
3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
CID 67251748
2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
CID 157414522
2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;4-(cyclopropylmethoxy)-N-(4-morpholin-2-ylphenyl)benzamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 158155851
3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 160928265
3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 161815729
6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;6-chloro-N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 161969702

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide?
The IUPAC name of 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide (CID 160558275) is 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide is CSc1ccc(C(=O)Nc2ccc(C3CNCCO3)cc2)cc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(Cl)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide?
The InChIKey is QYYYMFPCVNHZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S.C16H15Cl2N3O2.C16H16ClN3O2/c1-23-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-22-17;17-13-7-11(8-20-15(13)18)16(22)21-12-3-1-10(2-4-12)14-9-19-5-6-23-14;17-15-9-12(5-6-19-15)16(21)20-13-3-1-11(2-4-13)14-10-18-7-8-22-14/h2-9,17,19H,10-12H2,1H3,(H,20,21);1-4,7-8,14,19H,5-6,9H2,(H,21,22);1-6,9,14,18H,7-8,10H2,(H,20,21).
What are the key properties of 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide?
2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide has a molecular weight of 998.43 g/mol, XLogP of 9.27, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide is sourced from PubChem (CID 160558275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).