6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid

C24H31NO2 — CID 58641946

IUPAC6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid
SMILESCc1cc2c(cc1C(C)(C)c1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H31NO2/c1-15-12-18-19(23(4,5)11-10-22(18,2)3)13-17(15)24(6,7)20-9-8-16(14-25-20)21(26)27/h8-9,12-14H,10-11H2,1-7H3,(H,26,27)
InChIKeyNBYWUVRUVLKEJP-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.76
Rot. Bonds3

About 6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid

6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid (PubChem CID 58641946) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid
PubChem CID58641946
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid
SMILESCc1cc2c(cc1C(C)(C)c1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H31NO2/c1-15-12-18-19(23(4,5)11-10-22(18,2)3)13-17(15)24(6,7)20-9-8-16(14-25-20)21(26)27/h8-9,12-14H,10-11H2,1-7H3,(H,26,27)
InChIKeyNBYWUVRUVLKEJP-UHFFFAOYSA-N
XLogP5.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylic acid
CID 10269289
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl](11C)benzoic acid
CID 170653108
4-[3-fluoro-1-hydroxy-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]benzoic acid
CID 156689197
6-[[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hexanylidene]methyl]pyridine-3-carboxylic acid
CID 70182299
4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid
CID 19786971
6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid
CID 102277539
4-[2-oxo-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethyl]benzoic acid
CID 175350568
2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid
CID 135239959
6-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)selanyl]ethynyl]pyridine-3-carboxylic acid
CID 22641070
4-[N-cyano-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]benzoic acid
CID 10177429
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzenesulfonic acid
CID 118343110
6-[ethyl-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)amino]pyridine-3-carboxylic acid
CID 135251140

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid (CID 58641946) is 6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid is Cc1cc2c(cc1C(C)(C)c1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid?
The InChIKey is NBYWUVRUVLKEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-15-12-18-19(23(4,5)11-10-22(18,2)3)13-17(15)24(6,7)20-9-8-16(14-25-20)21(26)27/h8-9,12-14H,10-11H2,1-7H3,(H,26,27).
What are the key properties of 6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid?
6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid has a molecular weight of 365.52 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58641946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).