2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid

C13H16N4O3 — CID 107423977

IUPAC2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H16N4O3/c1-16(2)5-6-17(9-12(18)19)13(20)11-4-3-10(7-14)8-15-11/h3-4,8H,5-6,9H2,1-2H3,(H,18,19)
InChIKeyVEVGXERHANPBFX-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.04
Rot. Bonds6

About 2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid

2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 107423977) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID107423977
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H16N4O3/c1-16(2)5-6-17(9-12(18)19)13(20)11-4-3-10(7-14)8-15-11/h3-4,8H,5-6,9H2,1-2H3,(H,18,19)
InChIKeyVEVGXERHANPBFX-UHFFFAOYSA-N
XLogP0.04
TPSA97.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-ethyl-N-propylpyridine-2-carboxamide
CID 63717846
N-butyl-5-cyano-N-ethylpyridine-2-carboxamide
CID 63719310
5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 63718638
5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 63724052
methyl 3-[(5-cyanopyridine-2-carbonyl)-ethylamino]propanoate
CID 63717102
methyl 6-[(4-cyanophenyl)methyl-[2-(dimethylamino)ethyl]carbamoyl]pyridine-3-carboxylate
CID 60573978
N-butyl-N-(2-chloroethyl)-5-cyanopyridine-2-carboxamide
CID 55230022
N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide
CID 63716939
5-cyano-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107398621
ethyl 2-[(5-cyanopyridine-2-carbonyl)-methylamino]acetate
CID 55231343
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62953349
2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 121495268

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid (CID 107423977) is 2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)c1ccc(C#N)cn1.
What is the InChIKey of 2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is VEVGXERHANPBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-16(2)5-6-17(9-12(18)19)13(20)11-4-3-10(7-14)8-15-11/h3-4,8H,5-6,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 276.30 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 107423977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).