methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate

C22H19FN2O3 — CID 146127175

IUPACmethyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)c1cncc(F)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19FN2O3/c1-28-21(26)12-20(25-22(27)18-11-19(23)14-24-13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-11,13-14,20H,12H2,1H3,(H,25,27)
InChIKeyJQENOANQFXYESM-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.92
Rot. Bonds6

About methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate

methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate (PubChem CID 146127175) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate
PubChem CID146127175
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Namemethyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)c1cncc(F)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19FN2O3/c1-28-21(26)12-20(25-22(27)18-11-19(23)14-24-13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-11,13-14,20H,12H2,1H3,(H,25,27)
InChIKeyJQENOANQFXYESM-UHFFFAOYSA-N
XLogP3.92
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-(2,4-difluorophenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 99630876
methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate
CID 69400035
3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
CID 120520504
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl 3-benzamido-3-[4-(trifluoromethyl)phenyl]propanoate
CID 18797714
methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 18098156
methyl 3-(4-acetylphenyl)-3-benzamidopropanoate
CID 18797721
methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate
CID 45139943
methyl 3-[(2-amino-5-bromobenzoyl)amino]-3-(4-phenylphenyl)propanoate
CID 68860273
methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate
CID 24516885
2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 104785549
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
CID 65235244

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate?
The IUPAC name of methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate (CID 146127175) is methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate.
What is the SMILES notation for methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate?
The canonical SMILES for methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate is COC(=O)CC(NC(=O)c1cncc(F)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate?
The InChIKey is JQENOANQFXYESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-28-21(26)12-20(25-22(27)18-11-19(23)14-24-13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-11,13-14,20H,12H2,1H3,(H,25,27).
What are the key properties of methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate?
methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate has a molecular weight of 378.40 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate is sourced from PubChem (CID 146127175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).