3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid

C10H13N3O3 — CID 105062601

IUPAC3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
SMILESCCNC(=O)CNc1cnccc1C(=O)O
InChIInChI=1S/C10H13N3O3/c1-2-12-9(14)6-13-8-5-11-4-3-7(8)10(15)16/h3-5,13H,2,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyPOUMBUNLGFXVJK-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.33
Rot. Bonds5

About 3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid

3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid (PubChem CID 105062601) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
PubChem CID105062601
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
SMILESCCNC(=O)CNc1cnccc1C(=O)O
InChIInChI=1S/C10H13N3O3/c1-2-12-9(14)6-13-8-5-11-4-3-7(8)10(15)16/h3-5,13H,2,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyPOUMBUNLGFXVJK-UHFFFAOYSA-N
XLogP0.33
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-3-hydrazinylpyridine-4-carboxamide
CID 105072034
3-[[(Z,2Z)-2-(1-hydroxyethylidene)pent-3-enyl]amino]pyridine-4-carboxylic acid
CID 144656393
3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid
CID 107938048
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid
CID 114288825
3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 83187293
3-(ethylamino)-N-methyl-N-propylpyridine-4-carboxamide
CID 105068562
3-N,4-N-diethylpyridine-3,4-dicarboxamide
CID 14527703
4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
CID 114617444
3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070656
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071089
3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 114286469

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid (CID 105062601) is 3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid is CCNC(=O)CNc1cnccc1C(=O)O.
What is the InChIKey of 3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The InChIKey is POUMBUNLGFXVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-2-12-9(14)6-13-8-5-11-4-3-7(8)10(15)16/h3-5,13H,2,6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105062601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).