2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid

C12H17N3O3 — CID 106278034

IUPAC2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C12H17N3O3/c1-7-4-8(10(16)17)5-9(15-7)14-6-12(2,3)11(13)18/h4-5H,6H2,1-3H3,(H2,13,18)(H,14,15)(H,16,17)
InChIKeyNNKLHMGHMMPCRY-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.01
Rot. Bonds5

About 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid

2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid (PubChem CID 106278034) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid
PubChem CID106278034
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C12H17N3O3/c1-7-4-8(10(16)17)5-9(15-7)14-6-12(2,3)11(13)18/h4-5H,6H2,1-3H3,(H2,13,18)(H,14,15)(H,16,17)
InChIKeyNNKLHMGHMMPCRY-UHFFFAOYSA-N
XLogP1.01
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Methylamino)pyridine-4-carboxylic acid
CID 6484235
6-Methyl-2-(methylamino)pyridine-3-carboxylic acid
CID 14929599
2-{[(6-Methyl-2-pyridinyl)amino]carbonyl}benzoic acid
CID 768869
2-Acetamidopyridine-4-carboxylic acid
CID 3774466
2-(Ethylamino)pyridine-4-carboxylic acid
CID 23454818
2-((4-Fluoro-2-methylphenylamino)methyl)-6-(piperidin-1-yl)isonicotinic acid
CID 44592219
2-((4-Fluoro-2-methylphenylamino)methyl)-6-(pyrrolidin-1-yl)isonicotinic acid
CID 44592258
2-(Cyclopropylamino)-6-methylpyridine-4-carboxylic acid
CID 83698075
2-(Diethylamino)-6-methylisonicotinic acid
CID 58418055
2-[(3R*,4S*)-3-amino-4-propylpyrrolidin-1-yl]-6-methylnicotinic acid
CID 72842704
2-[(3R*,4S*)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-methylisonicotinic acid
CID 72906817
6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid
CID 122057986

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid (CID 106278034) is 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(NCC(C)(C)C(N)=O)n1.
What is the InChIKey of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid?
The InChIKey is NNKLHMGHMMPCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-4-8(10(16)17)5-9(15-7)14-6-12(2,3)11(13)18/h4-5H,6H2,1-3H3,(H2,13,18)(H,14,15)(H,16,17).
What are the key properties of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid?
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 106278034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).