3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C37H39ClF3N5O4 — CID 159619894

IUPAC3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1Cl.O=C(Nc1ccc([C@H]2CCNC2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C19H21ClN2O2.C18H18F3N3O2/c1-24-18-9-6-14(11-17(18)20)19(23)22-16-7-4-13(5-8-16)15-3-2-10-21-12-15;19-18(20,21)11-26-16-6-3-14(10-23-16)17(25)24-15-4-1-12(2-5-15)13-7-8-22-9-13/h4-9,11,15,21H,2-3,10,12H2,1H3,(H,22,23);1-6,10,13,22H,7-9,11H2,(H,24,25)/t15-;13-/m10/s1
InChIKeyMNTLAEXBXJXPLF-WGHVLKNESA-N
MW710.20 g/mol
LogP7.42
Rot. Bonds9

About 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 159619894) has the molecular formula C37H39ClF3N5O4 and a molecular weight of 710.20 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID159619894
Molecular FormulaC37H39ClF3N5O4
Molecular Weight710.20 g/mol
Exact Mass709.26
IUPAC Name3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1Cl.O=C(Nc1ccc([C@H]2CCNC2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C19H21ClN2O2.C18H18F3N3O2/c1-24-18-9-6-14(11-17(18)20)19(23)22-16-7-4-13(5-8-16)15-3-2-10-21-12-15;19-18(20,21)11-26-16-6-3-14(10-23-16)17(25)24-15-4-1-12(2-5-15)13-7-8-22-9-13/h4-9,11,15,21H,2-3,10,12H2,1H3,(H,22,23);1-6,10,13,22H,7-9,11H2,(H,24,25)/t15-;13-/m10/s1
InChIKeyMNTLAEXBXJXPLF-WGHVLKNESA-N
XLogP7.42
TPSA113.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.20
LogP ≤ 57.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[2-(Benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide
CID 59729911
6-[2-Chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746500
6-[2-Chloro-4-[2-[(3-fluorophenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68747847
6-chloro-7-methoxy-2-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]-1H-quinolin-4-one
CID 90676182
US10301306, Example 40
CID 146012371
US11306081, Example 095
CID 156361598
6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91914108
N-[(3-chloro-4-methoxyphenyl)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
CID 44633763
N-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 46191664
3-chloro-N-[3-chloro-4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]oxybenzamide
CID 58737138
3-Chloro-4-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]oxy]benzamide
CID 59730199
N-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268739

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 159619894) is 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is COc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1Cl.O=C(Nc1ccc([C@H]2CCNC2)cc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is MNTLAEXBXJXPLF-WGHVLKNESA-N. The full InChI is InChI=1S/C19H21ClN2O2.C18H18F3N3O2/c1-24-18-9-6-14(11-17(18)20)19(23)22-16-7-4-13(5-8-16)15-3-2-10-21-12-15;19-18(20,21)11-26-16-6-3-14(10-23-16)17(25)24-15-4-1-12(2-5-15)13-7-8-22-9-13/h4-9,11,15,21H,2-3,10,12H2,1H3,(H,22,23);1-6,10,13,22H,7-9,11H2,(H,24,25)/t15-;13-/m10/s1.
What are the key properties of 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 710.20 g/mol, XLogP of 7.42, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3R)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 159619894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).