methyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate

C21H24FN3O3 — CID 126544426

IUPACmethyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(C(=O)C2CCN(C)CC2)c2cccc(F)c2)nc1
InChIInChI=1S/C21H24FN3O3/c1-24-10-8-15(9-11-24)20(26)25(19-5-3-4-17(22)12-19)14-18-7-6-16(13-23-18)21(27)28-2/h3-7,12-13,15H,8-11,14H2,1-2H3
InChIKeySEPYGUVANXEIPR-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.88
Rot. Bonds5

About methyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate

methyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate (PubChem CID 126544426) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is methyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate
PubChem CID126544426
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Namemethyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(C(=O)C2CCN(C)CC2)c2cccc(F)c2)nc1
InChIInChI=1S/C21H24FN3O3/c1-24-10-8-15(9-11-24)20(26)25(19-5-3-4-17(22)12-19)14-18-7-6-16(13-23-18)21(27)28-2/h3-7,12-13,15H,8-11,14H2,1-2H3
InChIKeySEPYGUVANXEIPR-UHFFFAOYSA-N
XLogP2.88
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate (CID 126544426) is methyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CN(C(=O)C2CCN(C)CC2)c2cccc(F)c2)nc1.
What is the InChIKey of methyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate?
The InChIKey is SEPYGUVANXEIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-24-10-8-15(9-11-24)20(26)25(19-5-3-4-17(22)12-19)14-18-7-6-16(13-23-18)21(27)28-2/h3-7,12-13,15H,8-11,14H2,1-2H3.
What are the key properties of methyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate?
methyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate has a molecular weight of 385.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-fluoro-N-(1-methylpiperidine-4-carbonyl)anilino)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 126544426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).