2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid

C18H20N2O3 — CID 122055460

IUPAC2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid
SMILESCc1cccc(C(C)(C)CNC(=O)c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C18H20N2O3/c1-12-5-4-6-14(9-12)18(2,3)11-20-16(21)15-10-13(17(22)23)7-8-19-15/h4-10H,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyHHAOROWUDWSJNR-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.80
Rot. Bonds5

About 2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid

2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122055460) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid
PubChem CID122055460
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid
SMILESCc1cccc(C(C)(C)CNC(=O)c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C18H20N2O3/c1-12-5-4-6-14(9-12)18(2,3)11-20-16(21)15-10-13(17(22)23)7-8-19-15/h4-10H,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyHHAOROWUDWSJNR-UHFFFAOYSA-N
XLogP2.80
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 138057931
2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055666
N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 75386126
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
2-[3-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182911
4-(methoxymethyl)-N-[2-methyl-2-(3-methylphenyl)propyl]benzamide
CID 60599970
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62045664
2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-2-phenylacetamide
CID 119308143
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
CID 113090429
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate
CID 167977502

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid (CID 122055460) is 2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid is Cc1cccc(C(C)(C)CNC(=O)c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is HHAOROWUDWSJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-5-4-6-14(9-12)18(2,3)11-20-16(21)15-10-13(17(22)23)7-8-19-15/h4-10H,11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid?
2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).