6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid

C13H19N3O3 — CID 106904908

IUPAC6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid
SMILESCC(C)NC(=O)C(C)NCc1cccc(C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-8(2)15-12(17)9(3)14-7-10-5-4-6-11(16-10)13(18)19/h4-6,8-9,14H,7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyQDHRAOODUGKHKU-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.78
Rot. Bonds6

About 6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid

6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904908) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID106904908
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid
SMILESCC(C)NC(=O)C(C)NCc1cccc(C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-8(2)15-12(17)9(3)14-7-10-5-4-6-11(16-10)13(18)19/h4-6,8-9,14H,7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyQDHRAOODUGKHKU-UHFFFAOYSA-N
XLogP0.78
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904668
6-[[(4-amino-4-oxobutan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106905000
6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106904538
6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904477
6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904588
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831
6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904845
6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid
CID 106904746
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide
CID 81177101

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid (CID 106904908) is 6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid is CC(C)NC(=O)C(C)NCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is QDHRAOODUGKHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)15-12(17)9(3)14-7-10-5-4-6-11(16-10)13(18)19/h4-6,8-9,14H,7H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid?
6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).