4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide

C18H20FN3O2 — CID 118613047

IUPAC4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
SMILESCc1cc(OC2CCCCC2)cc(C(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C18H20FN3O2/c1-12-9-15(24-14-5-3-2-4-6-14)10-16(21-12)18(23)22-17-8-7-13(19)11-20-17/h7-11,14H,2-6H2,1H3,(H,20,22,23)
InChIKeyUGIOHMAOORUNFR-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.89
Rot. Bonds4

About 4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide

4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide (PubChem CID 118613047) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
PubChem CID118613047
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
SMILESCc1cc(OC2CCCCC2)cc(C(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C18H20FN3O2/c1-12-9-15(24-14-5-3-2-4-6-14)10-16(21-12)18(23)22-17-8-7-13(19)11-20-17/h7-11,14H,2-6H2,1H3,(H,20,22,23)
InChIKeyUGIOHMAOORUNFR-UHFFFAOYSA-N
XLogP3.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of 4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide (CID 118613047) is 4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for 4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide is Cc1cc(OC2CCCCC2)cc(C(=O)Nc2ccc(F)cn2)n1.
What is the InChIKey of 4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide?
The InChIKey is UGIOHMAOORUNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-9-15(24-14-5-3-2-4-6-14)10-16(21-12)18(23)22-17-8-7-13(19)11-20-17/h7-11,14H,2-6H2,1H3,(H,20,22,23).
What are the key properties of 4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide?
4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 118613047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).