5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid

C13H20N4O3 — CID 114407703

IUPAC5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)CNC(=O)CN(C)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C13H20N4O3/c1-8(2)6-15-11(18)7-17(3)12-9(14)4-5-10(16-12)13(19)20/h4-5,8H,6-7,14H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyRJAZUZKWIKXJFX-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.57
Rot. Bonds6

About 5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid

5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid (PubChem CID 114407703) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
PubChem CID114407703
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)CNC(=O)CN(C)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C13H20N4O3/c1-8(2)6-15-11(18)7-17(3)12-9(14)4-5-10(16-12)13(19)20/h4-5,8H,6-7,14H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyRJAZUZKWIKXJFX-UHFFFAOYSA-N
XLogP0.57
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid
CID 114406077
2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide
CID 103078834
5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid
CID 107203250
2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113408910
3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 105062817
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 81132684
5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 114405667
5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 114406127
2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide
CID 113408923
6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
CID 115730327
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide
CID 81132412
5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
CID 114405528

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid (CID 114407703) is 5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid is CC(C)CNC(=O)CN(C)c1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid?
The InChIKey is RJAZUZKWIKXJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8(2)6-15-11(18)7-17(3)12-9(14)4-5-10(16-12)13(19)20/h4-5,8H,6-7,14H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid?
5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114407703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).