N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide

C22H20FN3O4 — CID 46460746

IUPACN-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)C(C)Oc2ccc(F)cc2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C22H20FN3O4/c1-14(30-18-8-5-16(23)6-9-18)21(27)25-17-7-10-19(20(12-17)29-2)26-22(28)15-4-3-11-24-13-15/h3-14H,1-2H3,(H,25,27)(H,26,28)
InChIKeyXKVOLXIMKRXWPK-UHFFFAOYSA-N
MW409.42 g/mol
LogP3.89
Rot. Bonds7

About N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide

N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 46460746) has the molecular formula C22H20FN3O4 and a molecular weight of 409.42 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
PubChem CID46460746
Molecular FormulaC22H20FN3O4
Molecular Weight409.42 g/mol
Exact Mass409.14
IUPAC NameN-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)C(C)Oc2ccc(F)cc2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C22H20FN3O4/c1-14(30-18-8-5-16(23)6-9-18)21(27)25-17-7-10-19(20(12-17)29-2)26-22(28)15-4-3-11-24-13-15/h3-14H,1-2H3,(H,25,27)(H,26,28)
InChIKeyXKVOLXIMKRXWPK-UHFFFAOYSA-N
XLogP3.89
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 119845805
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
CID 1179494
N-[2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845814
N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 39839538
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 47783030
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 38659868
N-[2-methoxy-4-[(4-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 33492536
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55760803

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide (CID 46460746) is N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide is COc1cc(NC(=O)C(C)Oc2ccc(F)cc2)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is XKVOLXIMKRXWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4/c1-14(30-18-8-5-16(23)6-9-18)21(27)25-17-7-10-19(20(12-17)29-2)26-22(28)15-4-3-11-24-13-15/h3-14H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 409.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 46460746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).