4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide

C19H22FN3O3 — CID 139347796

IUPAC4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccc(F)cc2O)ccn1
InChIInChI=1S/C19H22FN3O3/c1-4-19(2,3)23-18(26)15-11-14(7-8-21-15)22-17(25)9-12-5-6-13(20)10-16(12)24/h5-8,10-11,24H,4,9H2,1-3H3,(H,23,26)(H,21,22,25)
InChIKeyYPGIINZAKMKCMK-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.03
Rot. Bonds6

About 4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide

4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 139347796) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
PubChem CID139347796
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccc(F)cc2O)ccn1
InChIInChI=1S/C19H22FN3O3/c1-4-19(2,3)23-18(26)15-11-14(7-8-21-15)22-17(25)9-12-5-6-13(20)10-16(12)24/h5-8,10-11,24H,4,9H2,1-3H3,(H,23,26)(H,21,22,25)
InChIKeyYPGIINZAKMKCMK-UHFFFAOYSA-N
XLogP3.03
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

US20200361871A1, Example 36
CID 139347764
2-hydroxy-N-((pyridin-2-yl)methyl)benzamide
CID 778091
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
Casein kinase 1|A-IN-10
CID 5442100
N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218550

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide (CID 139347796) is 4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide is CCC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccc(F)cc2O)ccn1.
What is the InChIKey of 4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is YPGIINZAKMKCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-4-19(2,3)23-18(26)15-11-14(7-8-21-15)22-17(25)9-12-5-6-13(20)10-16(12)24/h5-8,10-11,24H,4,9H2,1-3H3,(H,23,26)(H,21,22,25).
What are the key properties of 4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide?
4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 139347796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).