3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid

C12H19N3O2 — CID 103464069

IUPAC3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid
SMILESCCC(C)(C)CNc1nccc(C(=O)O)c1N
InChIInChI=1S/C12H19N3O2/c1-4-12(2,3)7-15-10-9(13)8(11(16)17)5-6-14-10/h5-6H,4,7,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeySSDDNAVZLHAXHD-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.21
Rot. Bonds5

About 3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid

3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid (PubChem CID 103464069) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid
PubChem CID103464069
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid
SMILESCCC(C)(C)CNc1nccc(C(=O)O)c1N
InChIInChI=1S/C12H19N3O2/c1-4-12(2,3)7-15-10-9(13)8(11(16)17)5-6-14-10/h5-6H,4,7,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeySSDDNAVZLHAXHD-UHFFFAOYSA-N
XLogP2.21
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106331142
3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid
CID 103464876
3-amino-2-[2-(carbamoylamino)ethylamino]pyridine-4-carboxylic acid
CID 83114653
3-amino-2-(4,4,4-trifluorobutylamino)pyridine-4-carboxylic acid
CID 115521844
methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 104765047
3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid
CID 114162790
3-amino-2-methylpyridine-4-carboxylic acid
CID 14447106
3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107856230
3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 107464523
3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
CID 79043675
3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382642
2-(2,2-dimethylbutylamino)pyridine-3-carbothioamide
CID 103461840

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid (CID 103464069) is 3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid is CCC(C)(C)CNc1nccc(C(=O)O)c1N.
What is the InChIKey of 3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid?
The InChIKey is SSDDNAVZLHAXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-12(2,3)7-15-10-9(13)8(11(16)17)5-6-14-10/h5-6H,4,7,13H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid?
3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 103464069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).