4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid

C14H20N2O2 — CID 81243605

IUPAC4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
SMILESCC1(C)C(CNc2ccncc2C(=O)O)C1(C)C
InChIInChI=1S/C14H20N2O2/c1-13(2)11(14(13,3)4)8-16-10-5-6-15-7-9(10)12(17)18/h5-7,11H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyWLEBITIZQAYFAB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.87
Rot. Bonds4

About 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid

4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 81243605) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
PubChem CID81243605
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
SMILESCC1(C)C(CNc2ccncc2C(=O)O)C1(C)C
InChIInChI=1S/C14H20N2O2/c1-13(2)11(14(13,3)4)8-16-10-5-6-15-7-9(10)12(17)18/h5-7,11H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyWLEBITIZQAYFAB-UHFFFAOYSA-N
XLogP2.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-(thiolan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 81243951
4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
CID 114617444
4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
CID 164651998
3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine
CID 79363161
4-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzoic acid
CID 79356430
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
4-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81244164
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 79351085
4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 81233404
4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
CID 81233296
4-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81243983

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid (CID 81243605) is 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid is CC1(C)C(CNc2ccncc2C(=O)O)C1(C)C.
What is the InChIKey of 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is WLEBITIZQAYFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-13(2)11(14(13,3)4)8-16-10-5-6-15-7-9(10)12(17)18/h5-7,11H,8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid?
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81243605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).