2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

C18H19ClFN3O2 — CID 86664317

IUPAC2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(Cl)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C18H19ClFN3O2/c1-12-9-15(23-5-7-25-8-6-23)22-17(19)16(12)18(24)21-11-13-3-2-4-14(20)10-13/h2-4,9-10H,5-8,11H2,1H3,(H,21,24)
InChIKeyOXOCDXKFSZBVFC-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.95
Rot. Bonds4

About 2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 86664317) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID86664317
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(Cl)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C18H19ClFN3O2/c1-12-9-15(23-5-7-25-8-6-23)22-17(19)16(12)18(24)21-11-13-3-2-4-14(20)10-13/h2-4,9-10H,5-8,11H2,1H3,(H,21,24)
InChIKeyOXOCDXKFSZBVFC-UHFFFAOYSA-N
XLogP2.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 86664317) is 2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is Cc1cc(N2CCOCC2)nc(Cl)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is OXOCDXKFSZBVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-12-9-15(23-5-7-25-8-6-23)22-17(19)16(12)18(24)21-11-13-3-2-4-14(20)10-13/h2-4,9-10H,5-8,11H2,1H3,(H,21,24).
What are the key properties of 2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 363.82 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 86664317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).