3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide

C18H18FN3O4 — CID 166431175

IUPAC3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide
SMILESNC(=O)c1cccc(Oc2ccc(NC(=O)C3CC(F)(CO)C3)nc2)c1
InChIInChI=1S/C18H18FN3O4/c19-18(10-23)7-12(8-18)17(25)22-15-5-4-14(9-21-15)26-13-3-1-2-11(6-13)16(20)24/h1-6,9,12,23H,7-8,10H2,(H2,20,24)(H,21,22,25)
InChIKeyCJOAOILKNFMPDW-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.02
Rot. Bonds6

About 3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide

3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide (PubChem CID 166431175) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is 3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide
PubChem CID166431175
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide
SMILESNC(=O)c1cccc(Oc2ccc(NC(=O)C3CC(F)(CO)C3)nc2)c1
InChIInChI=1S/C18H18FN3O4/c19-18(10-23)7-12(8-18)17(25)22-15-5-4-14(9-21-15)26-13-3-1-2-11(6-13)16(20)24/h1-6,9,12,23H,7-8,10H2,(H2,20,24)(H,21,22,25)
InChIKeyCJOAOILKNFMPDW-UHFFFAOYSA-N
XLogP2.02
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide with MolForge

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Related Compounds

1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55923899
N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
CID 55815692
3-[4-(carbamoylamino)phenoxy]benzamide
CID 142646919
3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide
CID 54591948
(3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide
CID 95594016
3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide
CID 119779656
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
3-amino-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119872968
N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113034101
N-[6-(3-carbamoylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119872961
2-amino-3-(3-carbamoylphenoxy)propanoic acid
CID 65442579
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide?
The IUPAC name of 3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide (CID 166431175) is 3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide.
What is the SMILES notation for 3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide?
The canonical SMILES for 3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide is NC(=O)c1cccc(Oc2ccc(NC(=O)C3CC(F)(CO)C3)nc2)c1.
What is the InChIKey of 3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide?
The InChIKey is CJOAOILKNFMPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c19-18(10-23)7-12(8-18)17(25)22-15-5-4-14(9-21-15)26-13-3-1-2-11(6-13)16(20)24/h1-6,9,12,23H,7-8,10H2,(H2,20,24)(H,21,22,25).
What are the key properties of 3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide?
3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide has a molecular weight of 359.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide is sourced from PubChem (CID 166431175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).