3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid

C12H17N3O4 — CID 113447920

IUPAC3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESCCC(COC)NC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H17N3O4/c1-3-8(7-19-2)14-12(18)15-9-5-4-6-13-10(9)11(16)17/h4-6,8H,3,7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyHWMCZSXWCMGIBL-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.33
Rot. Bonds6

About 3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid

3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid (PubChem CID 113447920) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
PubChem CID113447920
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESCCC(COC)NC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H17N3O4/c1-3-8(7-19-2)14-12(18)15-9-5-4-6-13-10(9)11(16)17/h4-6,8H,3,7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyHWMCZSXWCMGIBL-UHFFFAOYSA-N
XLogP1.33
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 106020390
1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea
CID 23937340
3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113486653
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea
CID 75484664
3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid
CID 113447517
2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103755507
3-(3-aminoprop-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 107524482
3-(2-methylsulfanylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743655
3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 107522619
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid (CID 113447920) is 3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid is CCC(COC)NC(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
The InChIKey is HWMCZSXWCMGIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-8(7-19-2)14-12(18)15-9-5-4-6-13-10(9)11(16)17/h4-6,8H,3,7H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 113447920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).