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

C51H52Cl2F3N9O6 — CID 157374951

IUPAC2-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
SMILESCc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc(Cl)n1.Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc(Cl)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/2C17H18ClN3O2.C17H16F3N3O2/c2*1-11-8-13(9-16(18)20-11)17(22)21-14-4-2-12(3-5-14)15-10-19-6-7-23-15;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/h2*2-5,8-9,15,19H,6-7,10H2,1H3,(H,21,22);1-6,9,14,21H,7-8,10H2,(H,23,24)/t2*15-;14-/m101/s1
InChIKeyBKFGZSIWEKMPRS-ZWIFBENPSA-N
MW1014.93 g/mol
LogP8.93
Rot. Bonds9

About 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

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 (PubChem CID 157374951) has the molecular formula C51H52Cl2F3N9O6 and a molecular weight of 1014.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157374951
Molecular FormulaC51H52Cl2F3N9O6
Molecular Weight1014.93 g/mol
Exact Mass1013.34
IUPAC Name2-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
SMILESCc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc(Cl)n1.Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc(Cl)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/2C17H18ClN3O2.C17H16F3N3O2/c2*1-11-8-13(9-16(18)20-11)17(22)21-14-4-2-12(3-5-14)15-10-19-6-7-23-15;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/h2*2-5,8-9,15,19H,6-7,10H2,1H3,(H,21,22);1-6,9,14,21H,7-8,10H2,(H,23,24)/t2*15-;14-/m101/s1
InChIKeyBKFGZSIWEKMPRS-ZWIFBENPSA-N
XLogP8.93
TPSA189.75 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001014.93
LogP ≤ 58.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
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
6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 87321639
N-(4-morpholin-2-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 67239272
N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 67240141
N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 67241009
N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 129145041
2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157859638

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc(Cl)n1.Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)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-[(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?
The InChIKey is BKFGZSIWEKMPRS-ZWIFBENPSA-N. The full InChI is InChI=1S/2C17H18ClN3O2.C17H16F3N3O2/c2*1-11-8-13(9-16(18)20-11)17(22)21-14-4-2-12(3-5-14)15-10-19-6-7-23-15;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/h2*2-5,8-9,15,19H,6-7,10H2,1H3,(H,21,22);1-6,9,14,21H,7-8,10H2,(H,23,24)/t2*15-;14-/m101/s1.
What are the key properties of 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?
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 has a molecular weight of 1014.93 g/mol, XLogP of 8.93, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157374951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).