4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide

C17H18FN3O3 — CID 139347709

IUPAC4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(NC(=O)Cc2cc(F)ccc2O)ccn1
InChIInChI=1S/C17H18FN3O3/c1-10(2)20-17(24)14-9-13(5-6-19-14)21-16(23)8-11-7-12(18)3-4-15(11)22/h3-7,9-10,22H,8H2,1-2H3,(H,20,24)(H,19,21,23)
InChIKeySBIUOSIRWHMIAD-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.25
Rot. Bonds5

About 4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide

4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 139347709) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide
PubChem CID139347709
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(NC(=O)Cc2cc(F)ccc2O)ccn1
InChIInChI=1S/C17H18FN3O3/c1-10(2)20-17(24)14-9-13(5-6-19-14)21-16(23)8-11-7-12(18)3-4-15(11)22/h3-7,9-10,22H,8H2,1-2H3,(H,20,24)(H,19,21,23)
InChIKeySBIUOSIRWHMIAD-UHFFFAOYSA-N
XLogP2.25
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 25207521
US20200361871A1, Example 36
CID 139347764
2-hydroxy-N-((pyridin-2-yl)methyl)benzamide
CID 778091
4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylcarbamoyl]-phenyl}-pyridine-2-carboxylic acid amide
CID 135404951
HIF-1 inhibitor-1
CID 139600307
2-hydroxy-N-(pyridin-3-yl)benzamide
CID 578240
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxamide
CID 46178613
N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropicolinamide
CID 46179015
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 46179100
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 46179299
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 59226456
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 59226493

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide (CID 139347709) is 4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1cc(NC(=O)Cc2cc(F)ccc2O)ccn1.
What is the InChIKey of 4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is SBIUOSIRWHMIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-10(2)20-17(24)14-9-13(5-6-19-14)21-16(23)8-11-7-12(18)3-4-15(11)22/h3-7,9-10,22H,8H2,1-2H3,(H,20,24)(H,19,21,23).
What are the key properties of 4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide?
4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 139347709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).