N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide

C21H21FN4O4 — CID 129270870

IUPACN-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide
SMILESCOCC(=O)N1CCC(Oc2ccc(-c3ccnc(NC=O)c3)cc2C#N)C(F)C1
InChIInChI=1S/C21H21FN4O4/c1-29-12-21(28)26-7-5-19(17(22)11-26)30-18-3-2-14(8-16(18)10-23)15-4-6-24-20(9-15)25-13-27/h2-4,6,8-9,13,17,19H,5,7,11-12H2,1H3,(H,24,25,27)
InChIKeyLYNDVQYTHFJSGK-UHFFFAOYSA-N
MW412.42 g/mol
LogP2.15
Rot. Bonds7

About N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide

N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide (PubChem CID 129270870) has the molecular formula C21H21FN4O4 and a molecular weight of 412.42 g/mol. Its IUPAC name is N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide
PubChem CID129270870
Molecular FormulaC21H21FN4O4
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC NameN-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide
SMILESCOCC(=O)N1CCC(Oc2ccc(-c3ccnc(NC=O)c3)cc2C#N)C(F)C1
InChIInChI=1S/C21H21FN4O4/c1-29-12-21(28)26-7-5-19(17(22)11-26)30-18-3-2-14(8-16(18)10-23)15-4-6-24-20(9-15)25-13-27/h2-4,6,8-9,13,17,19H,5,7,11-12H2,1H3,(H,24,25,27)
InChIKeyLYNDVQYTHFJSGK-UHFFFAOYSA-N
XLogP2.15
TPSA104.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide?
The IUPAC name of N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide (CID 129270870) is N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide.
What is the SMILES notation for N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide?
The canonical SMILES for N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide is COCC(=O)N1CCC(Oc2ccc(-c3ccnc(NC=O)c3)cc2C#N)C(F)C1.
What is the InChIKey of N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide?
The InChIKey is LYNDVQYTHFJSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4/c1-29-12-21(28)26-7-5-19(17(22)11-26)30-18-3-2-14(8-16(18)10-23)15-4-6-24-20(9-15)25-13-27/h2-4,6,8-9,13,17,19H,5,7,11-12H2,1H3,(H,24,25,27).
What are the key properties of N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide?
N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide has a molecular weight of 412.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide is sourced from PubChem (CID 129270870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).