5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid

C13H18N2O4 — CID 80710135

IUPAC5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)OCCN(C)C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H18N2O4/c1-9(2)19-7-6-15(3)12(16)10-4-5-11(13(17)18)14-8-10/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)
InChIKeyFQRLWVBMGMGAOV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.28
Rot. Bonds6

About 5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid

5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 80710135) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID80710135
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)OCCN(C)C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H18N2O4/c1-9(2)19-7-6-15(3)12(16)10-4-5-11(13(17)18)14-8-10/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)
InChIKeyFQRLWVBMGMGAOV-UHFFFAOYSA-N
XLogP1.28
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81074943
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559
2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 80710277
4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 103873795
N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide
CID 80710112
4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]benzoic acid
CID 81038080
5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
CID 81057588
N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 80718372
5-[methyl-[1-(1-methylcyclopropyl)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 119152141
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63274999
5-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 125149975

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid (CID 80710135) is 5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid is CC(C)OCCN(C)C(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is FQRLWVBMGMGAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(2)19-7-6-15(3)12(16)10-4-5-11(13(17)18)14-8-10/h4-5,8-9H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid?
5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 80710135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).