4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid

C14H20N2O2 — CID 114102024

IUPAC4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCC1(CNc2cc(C)nc(C)c2C(=O)O)CC1
InChIInChI=1S/C14H20N2O2/c1-4-14(5-6-14)8-15-11-7-9(2)16-10(3)12(11)13(17)18/h7H,4-6,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyWHHMMPDHAOMTEC-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.00
Rot. Bonds5

About 4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid

4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 114102024) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID114102024
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCC1(CNc2cc(C)nc(C)c2C(=O)O)CC1
InChIInChI=1S/C14H20N2O2/c1-4-14(5-6-14)8-15-11-7-9(2)16-10(3)12(11)13(17)18/h7H,4-6,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyWHHMMPDHAOMTEC-UHFFFAOYSA-N
XLogP3.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052116
4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053067
4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053541
2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
CID 81051889
4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053855
4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide
CID 103353986
2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81052352
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052279
2,6-dimethyl-4-(2-methylpentan-3-ylamino)pyridine-3-carboxylic acid
CID 81051750
2,6-dimethyl-4-(thiolan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 81053777

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid (CID 114102024) is 4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid is CCC1(CNc2cc(C)nc(C)c2C(=O)O)CC1.
What is the InChIKey of 4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is WHHMMPDHAOMTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-14(5-6-14)8-15-11-7-9(2)16-10(3)12(11)13(17)18/h7H,4-6,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid?
4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 114102024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).