5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid

C12H17N3O3 — CID 104638828

IUPAC5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
SMILESCCNC(=O)CN(CC)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H17N3O3/c1-3-13-11(16)8-15(4-2)9-5-6-10(12(17)18)14-7-9/h5-7H,3-4,8H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyNAXUJALQANVFQS-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.74
Rot. Bonds6

About 5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid

5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid (PubChem CID 104638828) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
PubChem CID104638828
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
SMILESCCNC(=O)CN(CC)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H17N3O3/c1-3-13-11(16)8-15(4-2)9-5-6-10(12(17)18)14-7-9/h5-7H,3-4,8H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyNAXUJALQANVFQS-UHFFFAOYSA-N
XLogP0.74
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid
CID 115490751
5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
CID 115490832
N-ethyl-2-[ethyl-[6-(1-hydroxyethyl)-3-pyridinyl]amino]acetamide
CID 83132139
5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 115490842
2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid
CID 113387735
1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanone
CID 83120327
5-[methyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 104638770
2-amino-4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]benzoic acid
CID 104500429
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
5-[butan-2-yl(ethyl)amino]pyridine-2-carboxylic acid
CID 115490776
5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 113321599

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid (CID 104638828) is 5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid is CCNC(=O)CN(CC)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid?
The InChIKey is NAXUJALQANVFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-13-11(16)8-15(4-2)9-5-6-10(12(17)18)14-7-9/h5-7H,3-4,8H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid?
5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104638828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).