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

C35H36ClF3N6O3 — CID 158971419

IUPAC2-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
SMILESCc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc(Cl)n1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H20ClN3O.C17H16F3N3O2/c1-12-9-15(10-17(19)21-12)18(23)22-16-6-4-13(5-7-16)14-3-2-8-20-11-14;18-17(19,20)15-6-3-12(9-22-15)16(24)23-13-4-1-11(2-5-13)14-10-21-7-8-25-14/h4-7,9-10,14,20H,2-3,8,11H2,1H3,(H,22,23);1-6,9,14,21H,7-8,10H2,(H,23,24)/t2*14-/m10/s1
InChIKeyJNWFTBFTDADNIX-IKFJUQJOSA-N
MW681.16 g/mol
LogP6.78
Rot. Bonds6

About 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

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 (PubChem CID 158971419) has the molecular formula C35H36ClF3N6O3 and a molecular weight of 681.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158971419
Molecular FormulaC35H36ClF3N6O3
Molecular Weight681.16 g/mol
Exact Mass680.25
IUPAC Name2-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
SMILESCc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc(Cl)n1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H20ClN3O.C17H16F3N3O2/c1-12-9-15(10-17(19)21-12)18(23)22-16-6-4-13(5-7-16)14-3-2-8-20-11-14;18-17(19,20)15-6-3-12(9-22-15)16(24)23-13-4-1-11(2-5-13)14-10-21-7-8-25-14/h4-7,9-10,14,20H,2-3,8,11H2,1H3,(H,22,23);1-6,9,14,21H,7-8,10H2,(H,23,24)/t2*14-/m10/s1
InChIKeyJNWFTBFTDADNIX-IKFJUQJOSA-N
XLogP6.78
TPSA117.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.16
LogP ≤ 56.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 56836054
6-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
CID 58315625
6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 58315672
N-(4-morpholin-2-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67239273
5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
CID 67239276
N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67239559
N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67240142
N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-cyanopyridine-3-carboxamide
CID 71086976
N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-3-carboxamide
CID 71086994
6-chloro-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71498836
6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 87321639
Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-(1-methoxy-1-methyl-ethyl)-4-pyridyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 118211226

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc(Cl)n1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 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?
The InChIKey is JNWFTBFTDADNIX-IKFJUQJOSA-N. The full InChI is InChI=1S/C18H20ClN3O.C17H16F3N3O2/c1-12-9-15(10-17(19)21-12)18(23)22-16-6-4-13(5-7-16)14-3-2-8-20-11-14;18-17(19,20)15-6-3-12(9-22-15)16(24)23-13-4-1-11(2-5-13)14-10-21-7-8-25-14/h4-7,9-10,14,20H,2-3,8,11H2,1H3,(H,22,23);1-6,9,14,21H,7-8,10H2,(H,23,24)/t2*14-/m10/s1.
What are the key properties of 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?
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 has a molecular weight of 681.16 g/mol, XLogP of 6.78, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158971419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).