2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid

C18H20N2O4 — CID 122055375

IUPAC2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid
SMILESCc1cccc(C)c1OCC(C)NC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C18H20N2O4/c1-11-5-4-6-12(2)16(11)24-10-13(3)20-17(21)15-9-14(18(22)23)7-8-19-15/h4-9,13H,10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyDGVQQUCPQYMVCO-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.59
Rot. Bonds6

About 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid

2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid (PubChem CID 122055375) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid
PubChem CID122055375
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid
SMILESCc1cccc(C)c1OCC(C)NC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C18H20N2O4/c1-11-5-4-6-12(2)16(11)24-10-13(3)20-17(21)15-9-14(18(22)23)7-8-19-15/h4-9,13H,10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyDGVQQUCPQYMVCO-UHFFFAOYSA-N
XLogP2.59
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 164614215
2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid
CID 122055012
2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080207
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136710891
2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080208
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23880769
4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide
CID 57406374
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide
CID 3668905

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid (CID 122055375) is 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid is Cc1cccc(C)c1OCC(C)NC(=O)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid?
The InChIKey is DGVQQUCPQYMVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-5-4-6-12(2)16(11)24-10-13(3)20-17(21)15-9-14(18(22)23)7-8-19-15/h4-9,13H,10H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid?
2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).