2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid

C12H18N4O3 — CID 121495268

IUPAC2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)c1cccc(N)n1
InChIInChI=1S/C12H18N4O3/c1-15(2)6-7-16(8-11(17)18)12(19)9-4-3-5-10(13)14-9/h3-5H,6-8H2,1-2H3,(H2,13,14)(H,17,18)
InChIKeyUTIKXOVWOJDCMU-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.25
Rot. Bonds6

About 2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid

2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 121495268) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID121495268
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)c1cccc(N)n1
InChIInChI=1S/C12H18N4O3/c1-15(2)6-7-16(8-11(17)18)12(19)9-4-3-5-10(13)14-9/h3-5H,6-8H2,1-2H3,(H2,13,14)(H,17,18)
InChIKeyUTIKXOVWOJDCMU-UHFFFAOYSA-N
XLogP-0.25
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79386284
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
CID 63691666
6-amino-N,N-bis(2-methylpropyl)pyridine-2-carboxamide;hydrochloride
CID 119998863
6-amino-N-(cyclopropylmethyl)-N-ethylpyridine-2-carboxamide
CID 63940117
2-[(2-bromo-3-methylbenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107981567
2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423977
2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid
CID 107423918
2-[(3-bromo-2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423704
2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid
CID 107423647
2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid
CID 107424007
2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid
CID 107424030
6-amino-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 62641667

Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid (CID 121495268) is 2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)c1cccc(N)n1.
What is the InChIKey of 2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is UTIKXOVWOJDCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15(2)6-7-16(8-11(17)18)12(19)9-4-3-5-10(13)14-9/h3-5H,6-8H2,1-2H3,(H2,13,14)(H,17,18).
What are the key properties of 2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 121495268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).