N-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide

C24H25FN4O3 — CID 86880926

IUPACN-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNC(=O)NCc1ccc(Oc2cccnc2)c(F)c1
InChIInChI=1S/C24H25FN4O3/c1-29(17-18-6-3-2-4-7-18)23(30)11-13-27-24(31)28-15-19-9-10-22(21(25)14-19)32-20-8-5-12-26-16-20/h2-10,12,14,16H,11,13,15,17H2,1H3,(H2,27,28,31)
InChIKeyFJQMHMMPALHXCT-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.86
Rot. Bonds9

About N-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide

N-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide (PubChem CID 86880926) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide
PubChem CID86880926
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNC(=O)NCc1ccc(Oc2cccnc2)c(F)c1
InChIInChI=1S/C24H25FN4O3/c1-29(17-18-6-3-2-4-7-18)23(30)11-13-27-24(31)28-15-19-9-10-22(21(25)14-19)32-20-8-5-12-26-16-20/h2-10,12,14,16H,11,13,15,17H2,1H3,(H2,27,28,31)
InChIKeyFJQMHMMPALHXCT-UHFFFAOYSA-N
XLogP3.86
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methylguanidine
CID 110952626
N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide
CID 86880649
1-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135152
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 166189097
1-(1,3-dioxoisoindol-5-yl)-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]urea
CID 48814202
N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide
CID 109020395
N-benzyl-3-[[N-[(3-fluoro-4-methylphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-methylpropanamide;hydroiodide
CID 111846788
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methylguanidine
CID 111846945
1-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111228372
1-[(2-ethoxyphenyl)methyl]-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111881998
1-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110939795
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3,5-dinitrobenzamide
CID 47739998

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide (CID 86880926) is N-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCNC(=O)NCc1ccc(Oc2cccnc2)c(F)c1.
What is the InChIKey of N-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide?
The InChIKey is FJQMHMMPALHXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-29(17-18-6-3-2-4-7-18)23(30)11-13-27-24(31)28-15-19-9-10-22(21(25)14-19)32-20-8-5-12-26-16-20/h2-10,12,14,16H,11,13,15,17H2,1H3,(H2,27,28,31).
What are the key properties of N-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide?
N-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide has a molecular weight of 436.49 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide is sourced from PubChem (CID 86880926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).