3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid

C17H17ClN2O3 — CID 162643753

IUPAC3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(Cl)cnc2C(=O)O)cc1
InChIInChI=1S/C17H17ClN2O3/c1-17(2,3)11-6-4-10(5-7-11)15(21)20-13-8-12(18)9-19-14(13)16(22)23/h4-9H,1-3H3,(H,20,21)(H,22,23)
InChIKeySOGATWAJQFUBEN-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.98
Rot. Bonds3

About 3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid

3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid (PubChem CID 162643753) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid
PubChem CID162643753
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(Cl)cnc2C(=O)O)cc1
InChIInChI=1S/C17H17ClN2O3/c1-17(2,3)11-6-4-10(5-7-11)15(21)20-13-8-12(18)9-19-14(13)16(22)23/h4-9H,1-3H3,(H,20,21)(H,22,23)
InChIKeySOGATWAJQFUBEN-UHFFFAOYSA-N
XLogP3.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[(4-Chlorophenyl)acetyl]amino}pyridine-4-Carboxylic Acid
CID 64393976
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 57889158
Sodium 3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylate
CID 162643752
Methyl 3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylate
CID 162644970
3-[(4-Tert-butylbenzoyl)amino]-5-chloro-6-phenylpyridine-2-carboxylic acid
CID 162657738
2-[[6-(2-Chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid
CID 25188115
2-[[6-(3-Chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
CID 25188119
2-[(5-Chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid
CID 46847428
2-[[6-(2-Chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
CID 46847894
N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide
CID 59444266
2-(3'-Chloro-2,4'-bipyridin-5-ylamino)-5-methylbenzoic acid
CID 66766326
7-chloro-3-(3-chlorophenyl)-4-hydroxy-1H-1,5-naphthyridin-2-one
CID 54730152

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid (CID 162643753) is 3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid is CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)cnc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid?
The InChIKey is SOGATWAJQFUBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-17(2,3)11-6-4-10(5-7-11)15(21)20-13-8-12(18)9-19-14(13)16(22)23/h4-9H,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid?
3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid has a molecular weight of 332.79 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 162643753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).