4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid

C13H18N2O4 — CID 113263118

IUPAC4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(C(=O)c1ccnc(C(=O)O)c1)C(C)COC
InChIInChI=1S/C13H18N2O4/c1-4-15(9(2)8-19-3)12(16)10-5-6-14-11(7-10)13(17)18/h5-7,9H,4,8H2,1-3H3,(H,17,18)
InChIKeyAWKOWIXCHNIESP-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.28
Rot. Bonds6

About 4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid

4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 113263118) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID113263118
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(C(=O)c1ccnc(C(=O)O)c1)C(C)COC
InChIInChI=1S/C13H18N2O4/c1-4-15(9(2)8-19-3)12(16)10-5-6-14-11(7-10)13(17)18/h5-7,9H,4,8H2,1-3H3,(H,17,18)
InChIKeyAWKOWIXCHNIESP-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

Fusaric Acid
CID 3442
2,4-Pyridinedicarboxylic acid
CID 10365
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 314992
2-Carboxy-3-pyridineacetic acid
CID 3080554
Diethyl 2,4-pyridinedicarboxylate
CID 170509
2-(((2-((2-(Dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid
CID 86346639
5-Methylpicolinic acid
CID 199575
2-Methyl 2,3-pyridinedicarboxylate
CID 98626
Dimethyl pyridine-2,4-dicarboxylate
CID 254545
Picolinic acid, 5-heptyl-
CID 212529
Picolinic acid, 5-propyl-
CID 217663
5-Ethylpicolinic acid
CID 120375

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid (CID 113263118) is 4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid is CCN(C(=O)c1ccnc(C(=O)O)c1)C(C)COC.
What is the InChIKey of 4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is AWKOWIXCHNIESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-15(9(2)8-19-3)12(16)10-5-6-14-11(7-10)13(17)18/h5-7,9H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
4-[ethyl(1-methoxypropan-2-yl)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 4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 113263118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).