methyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate

C16H15FN2O3 — CID 3253363

IUPACmethyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate
SMILESCOC(=O)CCN(C(=O)c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C16H15FN2O3/c1-22-15(20)9-11-19(14-4-2-3-10-18-14)16(21)12-5-7-13(17)8-6-12/h2-8,10H,9,11H2,1H3
InChIKeyDTZNYKTWDFQHSO-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.43
Rot. Bonds5

About methyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate

methyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate (PubChem CID 3253363) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is methyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate
PubChem CID3253363
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Namemethyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate
SMILESCOC(=O)CCN(C(=O)c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C16H15FN2O3/c1-22-15(20)9-11-19(14-4-2-3-10-18-14)16(21)12-5-7-13(17)8-6-12/h2-8,10H,9,11H2,1H3
InChIKeyDTZNYKTWDFQHSO-UHFFFAOYSA-N
XLogP2.43
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate?
The IUPAC name of methyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate (CID 3253363) is methyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate?
The canonical SMILES for methyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate is COC(=O)CCN(C(=O)c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of methyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate?
The InChIKey is DTZNYKTWDFQHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-22-15(20)9-11-19(14-4-2-3-10-18-14)16(21)12-5-7-13(17)8-6-12/h2-8,10H,9,11H2,1H3.
What are the key properties of methyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate?
methyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate has a molecular weight of 302.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorobenzoyl)-pyridin-2-ylamino]propanoate is sourced from PubChem (CID 3253363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).