4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid

C11H16N2O2 — CID 81233154

IUPAC4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
SMILESCC(C)(C)CNc1ccncc1C(=O)O
InChIInChI=1S/C11H16N2O2/c1-11(2,3)7-13-9-4-5-12-6-8(9)10(14)15/h4-6H,7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyCPXMNNNQHSTSER-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.24
Rot. Bonds3

About 4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid

4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid (PubChem CID 81233154) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
PubChem CID81233154
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
SMILESCC(C)(C)CNc1ccncc1C(=O)O
InChIInChI=1S/C11H16N2O2/c1-11(2,3)7-13-9-4-5-12-6-8(9)10(14)15/h4-6H,7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyCPXMNNNQHSTSER-UHFFFAOYSA-N
XLogP2.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
CID 164651998
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 81243605
4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
CID 114617444
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 81233404
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
4-(4-tert-butylanilino)pyridine-3-carboxylic acid
CID 81232443
4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 114093576
4-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81244164
4-[(2-ethyl-4-hydroxybutyl)amino]pyridine-3-carboxylic acid
CID 81244416
4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81243550
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid (CID 81233154) is 4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid is CC(C)(C)CNc1ccncc1C(=O)O.
What is the InChIKey of 4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid?
The InChIKey is CPXMNNNQHSTSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)7-13-9-4-5-12-6-8(9)10(14)15/h4-6H,7H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid?
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81233154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).