5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid

C21H20N2O3 — CID 165371854

IUPAC5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(C)(C)c1cnc(C(=O)Nc2ccc3ccccc3c2)c(C(=O)O)c1
InChIInChI=1S/C21H20N2O3/c1-21(2,3)15-11-17(20(25)26)18(22-12-15)19(24)23-16-9-8-13-6-4-5-7-14(13)10-16/h4-12H,1-3H3,(H,23,24)(H,25,26)
InChIKeyLIKNJLHORQUKMC-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.48
Rot. Bonds3

About 5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid

5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 165371854) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID165371854
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(C)(C)c1cnc(C(=O)Nc2ccc3ccccc3c2)c(C(=O)O)c1
InChIInChI=1S/C21H20N2O3/c1-21(2,3)15-11-17(20(25)26)18(22-12-15)19(24)23-16-9-8-13-6-4-5-7-14(13)10-16/h4-12H,1-3H3,(H,23,24)(H,25,26)
InChIKeyLIKNJLHORQUKMC-UHFFFAOYSA-N
XLogP4.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide
CID 110467556
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide
CID 78893081
N-naphthalen-2-yl-6-[5-(naphthalen-2-ylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 170421565
N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574296
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
2-[[6-(4-tert-butylphenoxy)-3-pyridinyl]carbamoyl]benzoic acid
CID 2814281
N-naphthalen-2-ylpyrimidine-4-carboxamide
CID 140508314
4-amino-N-naphthalen-2-ylpyridine-3-carboxamide
CID 81240881
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid (CID 165371854) is 5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid is CC(C)(C)c1cnc(C(=O)Nc2ccc3ccccc3c2)c(C(=O)O)c1.
What is the InChIKey of 5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is LIKNJLHORQUKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-21(2,3)15-11-17(20(25)26)18(22-12-15)19(24)23-16-9-8-13-6-4-5-7-14(13)10-16/h4-12H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid?
5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 165371854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).