2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide

C18H19ClFN3O2 — CID 97186262

IUPAC2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide
SMILESC[C@H]1CN(c2ccc(NC(=O)c3cccnc3Cl)cc2F)C[C@H](C)O1
InChIInChI=1S/C18H19ClFN3O2/c1-11-9-23(10-12(2)25-11)16-6-5-13(8-15(16)20)22-18(24)14-4-3-7-21-17(14)19/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)/t11-,12-/m0/s1
InChIKeyPBXDIGFWZPUHDN-RYUDHWBXSA-N
MW363.82 g/mol
LogP3.74
Rot. Bonds3

About 2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide

2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide (PubChem CID 97186262) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide
PubChem CID97186262
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide
SMILESC[C@H]1CN(c2ccc(NC(=O)c3cccnc3Cl)cc2F)C[C@H](C)O1
InChIInChI=1S/C18H19ClFN3O2/c1-11-9-23(10-12(2)25-11)16-6-5-13(8-15(16)20)22-18(24)14-4-3-7-21-17(14)19/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)/t11-,12-/m0/s1
InChIKeyPBXDIGFWZPUHDN-RYUDHWBXSA-N
XLogP3.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide
CID 97186261
3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide
CID 94184034
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide
CID 95383368
N'-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)oxamide
CID 55750500
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide
CID 55799667
1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea
CID 47042942
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide
CID 115588705
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55799893
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide
CID 102556139
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide
CID 94189690
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94647091
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-(2-methoxyethyl)urea
CID 94189672

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide (CID 97186262) is 2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide is C[C@H]1CN(c2ccc(NC(=O)c3cccnc3Cl)cc2F)C[C@H](C)O1.
What is the InChIKey of 2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide?
The InChIKey is PBXDIGFWZPUHDN-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-11-9-23(10-12(2)25-11)16-6-5-13(8-15(16)20)22-18(24)14-4-3-7-21-17(14)19/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)/t11-,12-/m0/s1.
What are the key properties of 2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide?
2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide has a molecular weight of 363.82 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide is sourced from PubChem (CID 97186262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).