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

C12H18N4O3 — CID 114047069

IUPAC5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid
SMILESCCN(CC(=O)N(C)C)c1ncc(N)cc1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-4-16(7-10(17)15(2)3)11-9(12(18)19)5-8(13)6-14-11/h5-6H,4,7,13H2,1-3H3,(H,18,19)
InChIKeyFSRWEOFGHVMCEZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.28
Rot. Bonds5

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

5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid (PubChem CID 114047069) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid
PubChem CID114047069
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid
SMILESCCN(CC(=O)N(C)C)c1ncc(N)cc1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-4-16(7-10(17)15(2)3)11-9(12(18)19)5-8(13)6-14-11/h5-6H,4,7,13H2,1-3H3,(H,18,19)
InChIKeyFSRWEOFGHVMCEZ-UHFFFAOYSA-N
XLogP0.28
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[(2-amino-2-oxoethyl)-ethylamino]pyridine-3-carboxamide
CID 103101079
5-amino-2-(diethylamino)pyridine-3-carboxamide
CID 61359746
5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 61359374
2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 104533388
5-amino-2-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 61358208
2-amino-4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 104500358
5-bromo-2-(diethylamino)pyridine-3-carboxylic acid
CID 59700072
5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid
CID 114047100
5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid
CID 82482899
2-[(5-amino-3-bromo-2-pyridinyl)-ethylamino]-N-methylacetamide
CID 79531786
5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid
CID 165482356
2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid
CID 114034395

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid (CID 114047069) is 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid is CCN(CC(=O)N(C)C)c1ncc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid?
The InChIKey is FSRWEOFGHVMCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-4-16(7-10(17)15(2)3)11-9(12(18)19)5-8(13)6-14-11/h5-6H,4,7,13H2,1-3H3,(H,18,19).
What are the key properties of 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid?
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114047069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).