3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid

C19H20ClN3O5 — CID 155355418

IUPAC3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1ncccc1NC(=O)Cc1cc(Cl)ccc1O
InChIInChI=1S/C19H20ClN3O5/c1-19(2,10-16(26)27)23-18(28)17-13(4-3-7-21-17)22-15(25)9-11-8-12(20)5-6-14(11)24/h3-8,24H,9-10H2,1-2H3,(H,22,25)(H,23,28)(H,26,27)
InChIKeyCPNYEVHDWPTWJX-UHFFFAOYSA-N
MW405.84 g/mol
LogP2.60
Rot. Bonds7

About 3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid

3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 155355418) has the molecular formula C19H20ClN3O5 and a molecular weight of 405.84 g/mol. Its IUPAC name is 3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid
PubChem CID155355418
Molecular FormulaC19H20ClN3O5
Molecular Weight405.84 g/mol
Exact Mass405.11
IUPAC Name3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1ncccc1NC(=O)Cc1cc(Cl)ccc1O
InChIInChI=1S/C19H20ClN3O5/c1-19(2,10-16(26)27)23-18(28)17-13(4-3-7-21-17)22-15(25)9-11-8-12(20)5-6-14(11)24/h3-8,24H,9-10H2,1-2H3,(H,22,25)(H,23,28)(H,26,27)
InChIKeyCPNYEVHDWPTWJX-UHFFFAOYSA-N
XLogP2.60
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107517143
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylpentan-2-yl)pyridine-2-carboxamide
CID 139347713
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670662
3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 64671499
N-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide
CID 160788470
3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide
CID 106096469
3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739842
3-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 64701850
3-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740235
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
CID 139347813
N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348454

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid (CID 155355418) is 3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)c1ncccc1NC(=O)Cc1cc(Cl)ccc1O.
What is the InChIKey of 3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is CPNYEVHDWPTWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5/c1-19(2,10-16(26)27)23-18(28)17-13(4-3-7-21-17)22-15(25)9-11-8-12(20)5-6-14(11)24/h3-8,24H,9-10H2,1-2H3,(H,22,25)(H,23,28)(H,26,27).
What are the key properties of 3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid?
3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 405.84 g/mol, XLogP of 2.60, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 155355418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).