3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid

C17H27N3O2 — CID 82310101

IUPAC3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C17H27N3O2/c1-4-19(12-14(3)17(21)22)15-5-6-16(18-11-15)20-9-7-13(2)8-10-20/h5-6,11,13-14H,4,7-10,12H2,1-3H3,(H,21,22)
InChIKeyFGQPZHWHDXDUKS-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.86
Rot. Bonds6

About 3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid

3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid (PubChem CID 82310101) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid
PubChem CID82310101
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C17H27N3O2/c1-4-19(12-14(3)17(21)22)15-5-6-16(18-11-15)20-9-7-13(2)8-10-20/h5-6,11,13-14H,4,7-10,12H2,1-3H3,(H,21,22)
InChIKeyFGQPZHWHDXDUKS-UHFFFAOYSA-N
XLogP2.86
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[N-ethyl-4-(4-methylpiperidin-1-yl)anilino]-2-methylpropanoic acid
CID 82318893
5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
(2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid
CID 119360590
2-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 39181827
N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 120827370
3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 63208615
4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846067
3-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]propanamide
CID 39181563
(1R)-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]ethanol
CID 100670630
5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
CID 115490832
1-ethyl-1-(2-hydroxyethyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 110896030
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid (CID 82310101) is 3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)c1ccc(N2CCC(C)CC2)nc1.
What is the InChIKey of 3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid?
The InChIKey is FGQPZHWHDXDUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-19(12-14(3)17(21)22)15-5-6-16(18-11-15)20-9-7-13(2)8-10-20/h5-6,11,13-14H,4,7-10,12H2,1-3H3,(H,21,22).
What are the key properties of 3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid?
3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid has a molecular weight of 305.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 82310101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).