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

C55H60ClN7O7S — CID 158155851

IUPAC2-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
SMILESCSc1ccc(C(=O)Nc2ccc(C3CNCCO3)cc2)cc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(OCC2CC2)cc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(Cl)c1
InChIInChI=1S/C21H24N2O3.C18H20N2O2S.C16H16ClN3O2/c24-21(17-5-9-19(10-6-17)26-14-15-1-2-15)23-18-7-3-16(4-8-18)20-13-22-11-12-25-20;1-23-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-22-17;17-15-9-12(5-6-19-15)16(21)20-13-3-1-11(2-4-13)14-10-18-7-8-22-14/h3-10,15,20,22H,1-2,11-14H2,(H,23,24);2-9,17,19H,10-12H2,1H3,(H,20,21);1-6,9,14,18H,7-8,10H2,(H,20,21)
InChIKeyFVRDTKNEPRLBQN-UHFFFAOYSA-N
MW998.65 g/mol
LogP9.36
Rot. Bonds13

About 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

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 (PubChem CID 158155851) has the molecular formula C55H60ClN7O7S and a molecular weight of 998.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158155851
Molecular FormulaC55H60ClN7O7S
Molecular Weight998.65 g/mol
Exact Mass997.40
IUPAC Name2-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
SMILESCSc1ccc(C(=O)Nc2ccc(C3CNCCO3)cc2)cc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(OCC2CC2)cc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(Cl)c1
InChIInChI=1S/C21H24N2O3.C18H20N2O2S.C16H16ClN3O2/c24-21(17-5-9-19(10-6-17)26-14-15-1-2-15)23-18-7-3-16(4-8-18)20-13-22-11-12-25-20;1-23-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-22-17;17-15-9-12(5-6-19-15)16(21)20-13-3-1-11(2-4-13)14-10-18-7-8-22-14/h3-10,15,20,22H,1-2,11-14H2,(H,23,24);2-9,17,19H,10-12H2,1H3,(H,20,21);1-6,9,14,18H,7-8,10H2,(H,20,21)
InChIKeyFVRDTKNEPRLBQN-UHFFFAOYSA-N
XLogP9.36
TPSA173.20 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500998.65
LogP ≤ 59.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 162004668
4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 158139948
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
6-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;6-cyano-N-(4-morpholin-4-ium-2-ylphenyl)pyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-4-phenylmethoxybenzamide;chloride
CID 160191757
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CSc1ccc(C(=O)Nc2ccc(C3CNCCO3)cc2)cc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(OCC2CC2)cc1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(Cl)c1.
What is the InChIKey of 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?
The InChIKey is FVRDTKNEPRLBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.C18H20N2O2S.C16H16ClN3O2/c24-21(17-5-9-19(10-6-17)26-14-15-1-2-15)23-18-7-3-16(4-8-18)20-13-22-11-12-25-20;1-23-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-22-17;17-15-9-12(5-6-19-15)16(21)20-13-3-1-11(2-4-13)14-10-18-7-8-22-14/h3-10,15,20,22H,1-2,11-14H2,(H,23,24);2-9,17,19H,10-12H2,1H3,(H,20,21);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;4-(cyclopropylmethoxy)-N-(4-morpholin-2-ylphenyl)benzamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide?
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 has a molecular weight of 998.65 g/mol, XLogP of 9.36, 13 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;4-(cyclopropylmethoxy)-N-(4-morpholin-2-ylphenyl)benzamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide is sourced from PubChem (CID 158155851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).