6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid

C11H15N3O3 — CID 54959157

IUPAC6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
SMILESCCNC(=O)C(C)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C11H15N3O3/c1-3-12-10(15)7(2)14-9-5-4-8(6-13-9)11(16)17/h4-7H,3H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyVGMOVFHZTYCUIF-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.72
Rot. Bonds5

About 6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid

6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid (PubChem CID 54959157) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
PubChem CID54959157
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
SMILESCCNC(=O)C(C)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C11H15N3O3/c1-3-12-10(15)7(2)14-9-5-4-8(6-13-9)11(16)17/h4-7H,3H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyVGMOVFHZTYCUIF-UHFFFAOYSA-N
XLogP0.72
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-carboxyethylamino)pyridine-3-carboxylic acid
CID 82357197
2-[(5-methyl-2-pyridinyl)amino]-N-propylpropanamide
CID 61480003
6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 63011971
6-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 61318986
ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61065618
2-[(5-methoxy-2-pyridinyl)amino]-N-propylpropanamide
CID 106504045
4-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2,3-difluorobenzoic acid
CID 79838478
(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid
CID 122049964
N-ethyl-2-[(6-methyl-2-pyridinyl)amino]propanamide
CID 61480114
6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 65034852
6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid
CID 113421841
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid (CID 54959157) is 6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid is CCNC(=O)C(C)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is VGMOVFHZTYCUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-12-10(15)7(2)14-9-5-4-8(6-13-9)11(16)17/h4-7H,3H2,1-2H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid?
6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 54959157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).