3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid

C12H17N3O4 — CID 113447906

IUPAC3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)N(CCO)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H17N3O4/c1-8(2)15(6-7-16)12(19)14-9-4-3-5-13-10(9)11(17)18/h3-5,8,16H,6-7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyPBOBUROIPGFUHX-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.01
Rot. Bonds5

About 3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid

3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid (PubChem CID 113447906) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid
PubChem CID113447906
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)N(CCO)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H17N3O4/c1-8(2)15(6-7-16)12(19)14-9-4-3-5-13-10(9)11(17)18/h3-5,8,16H,6-7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyPBOBUROIPGFUHX-UHFFFAOYSA-N
XLogP1.01
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447891
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 62534809
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743458
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296
3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743271
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447890
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743381

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid (CID 113447906) is 3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid is CC(C)N(CCO)C(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is PBOBUROIPGFUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(2)15(6-7-16)12(19)14-9-4-3-5-13-10(9)11(17)18/h3-5,8,16H,6-7H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid?
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113447906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).