5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid

C12H18N4O3 — CID 81439403

IUPAC5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
SMILESCCNC(=O)CN(CC)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C12H18N4O3/c1-3-14-10(17)7-16(4-2)11-9(13)5-8(6-15-11)12(18)19/h5-6H,3-4,7,13H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyXWARNLNTPZKJSF-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.32
Rot. Bonds6

About 5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid

5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid (PubChem CID 81439403) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
PubChem CID81439403
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
SMILESCCNC(=O)CN(CC)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C12H18N4O3/c1-3-14-10(17)7-16(4-2)11-9(13)5-8(6-15-11)12(18)19/h5-6H,3-4,7,13H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyXWARNLNTPZKJSF-UHFFFAOYSA-N
XLogP0.32
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid
CID 113387735
5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid
CID 54980980
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81439693
5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81438909
5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid
CID 81439195
5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid
CID 81439101
2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 80805333
2-amino-4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]benzoic acid
CID 104500429
5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 81439567
2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 79633316
5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 104638828
5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81439115

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid (CID 81439403) is 5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid is CCNC(=O)CN(CC)c1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid?
The InChIKey is XWARNLNTPZKJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-14-10(17)7-16(4-2)11-9(13)5-8(6-15-11)12(18)19/h5-6H,3-4,7,13H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid?
5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).