4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid

C15H20N2O2 — CID 81244397

IUPAC4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NCC(C2CC2)C2CC2)c(C(=O)O)cn1
InChIInChI=1S/C15H20N2O2/c1-9-6-14(13(8-16-9)15(18)19)17-7-12(10-2-3-10)11-4-5-11/h6,8,10-12H,2-5,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyFAUOLLFVEBMZRU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.94
Rot. Bonds6

About 4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid

4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81244397) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
PubChem CID81244397
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NCC(C2CC2)C2CC2)c(C(=O)O)cn1
InChIInChI=1S/C15H20N2O2/c1-9-6-14(13(8-16-9)15(18)19)17-7-12(10-2-3-10)11-4-5-11/h6,8,10-12H,2-5,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyFAUOLLFVEBMZRU-UHFFFAOYSA-N
XLogP2.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81233057
6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906554
N-(2,2-dicyclopropylethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81245313
6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81243824
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 81243971
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359
6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid
CID 81229069
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid (CID 81244397) is 4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid is Cc1cc(NCC(C2CC2)C2CC2)c(C(=O)O)cn1.
What is the InChIKey of 4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is FAUOLLFVEBMZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9-6-14(13(8-16-9)15(18)19)17-7-12(10-2-3-10)11-4-5-11/h6,8,10-12H,2-5,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid?
4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).