methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate

C16H23N3O2 — CID 133433125

IUPACmethyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCN(C3CC3)CC2)nc1C
InChIInChI=1S/C16H23N3O2/c1-11-14(16(20)21-2)5-6-15(17-11)18-12-7-9-19(10-8-12)13-3-4-13/h5-6,12-13H,3-4,7-10H2,1-2H3,(H,17,18)
InChIKeyWTJMPVHJGUSILL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.22
Rot. Bonds4

About methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate

methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate (PubChem CID 133433125) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate
PubChem CID133433125
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Namemethyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCN(C3CC3)CC2)nc1C
InChIInChI=1S/C16H23N3O2/c1-11-14(16(20)21-2)5-6-15(17-11)18-12-7-9-19(10-8-12)13-3-4-13/h5-6,12-13H,3-4,7-10H2,1-2H3,(H,17,18)
InChIKeyWTJMPVHJGUSILL-UHFFFAOYSA-N
XLogP2.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate (CID 133433125) is methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(NC2CCN(C3CC3)CC2)nc1C.
What is the InChIKey of methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate?
The InChIKey is WTJMPVHJGUSILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-14(16(20)21-2)5-6-15(17-11)18-12-7-9-19(10-8-12)13-3-4-13/h5-6,12-13H,3-4,7-10H2,1-2H3,(H,17,18).
What are the key properties of methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate?
methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 133433125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).