5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid

C21H24N2O3 — CID 57011542

IUPAC5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2c1ccc(-c1ccc(C(=O)O)nc1)c2C(N)=O
InChIInChI=1S/C21H24N2O3/c1-20(2)9-10-21(3,4)17-14(20)7-6-13(16(17)18(22)24)12-5-8-15(19(25)26)23-11-12/h5-8,11H,9-10H2,1-4H3,(H2,22,24)(H,25,26)
InChIKeyOUENETYXJLTCSU-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.89
Rot. Bonds3

About 5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid

5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid (PubChem CID 57011542) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid
PubChem CID57011542
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2c1ccc(-c1ccc(C(=O)O)nc1)c2C(N)=O
InChIInChI=1S/C21H24N2O3/c1-20(2)9-10-21(3,4)17-14(20)7-6-13(16(17)18(22)24)12-5-8-15(19(25)26)23-11-12/h5-8,11H,9-10H2,1-4H3,(H2,22,24)(H,25,26)
InChIKeyOUENETYXJLTCSU-UHFFFAOYSA-N
XLogP3.89
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid with MolForge

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Related Compounds

5-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-ynyl]pyridine-2-carboxylic acid
CID 18357898
5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1,5]benzothiazepin-12-yl)pyridine-2-carboxylic acid
CID 142153117
5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid
CID 53223446
5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid
CID 114939417
(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate
CID 54547849
5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylic acid
CID 10269289
5-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]pyridine-2-carboxylic acid
CID 67678220
5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid
CID 66277953
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418652
5-(4-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983912
5-[2-(dimethylamino)phenyl]pyridine-2-carboxylic acid
CID 50998545
5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide
CID 170207571

Frequently Asked Questions

What is the IUPAC name of 5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid (CID 57011542) is 5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid is CC1(C)CCC(C)(C)c2c1ccc(-c1ccc(C(=O)O)nc1)c2C(N)=O.
What is the InChIKey of 5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid?
The InChIKey is OUENETYXJLTCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-20(2)9-10-21(3,4)17-14(20)7-6-13(16(17)18(22)24)12-5-8-15(19(25)26)23-11-12/h5-8,11H,9-10H2,1-4H3,(H2,22,24)(H,25,26).
What are the key properties of 5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid?
5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid has a molecular weight of 352.43 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 57011542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).