N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide

C18H13ClFN3O2 — CID 58337557

IUPACN-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)n1
InChIInChI=1S/C18H13ClFN3O2/c1-11-3-2-4-17(22-11)18(24)23-14-5-12(19)6-15(8-14)25-16-7-13(20)9-21-10-16/h2-10H,1H3,(H,23,24)
InChIKeySTANNKXOLVVTHH-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.62
Rot. Bonds4

About N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide

N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide (PubChem CID 58337557) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide
PubChem CID58337557
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC NameN-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)n1
InChIInChI=1S/C18H13ClFN3O2/c1-11-3-2-4-17(22-11)18(24)23-14-5-12(19)6-15(8-14)25-16-7-13(20)9-21-10-16/h2-10H,1H3,(H,23,24)
InChIKeySTANNKXOLVVTHH-UHFFFAOYSA-N
XLogP4.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide (CID 58337557) is N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)n1.
What is the InChIKey of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide?
The InChIKey is STANNKXOLVVTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-11-3-2-4-17(22-11)18(24)23-14-5-12(19)6-15(8-14)25-16-7-13(20)9-21-10-16/h2-10H,1H3,(H,23,24).
What are the key properties of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide?
N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide has a molecular weight of 357.77 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 58337557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).