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

C19H29N3O3 — CID 133421125

IUPACmethyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCN(C3CCCCC3O)CC2)nc1C
InChIInChI=1S/C19H29N3O3/c1-13-15(19(24)25-2)7-8-18(20-13)21-14-9-11-22(12-10-14)16-5-3-4-6-17(16)23/h7-8,14,16-17,23H,3-6,9-12H2,1-2H3,(H,20,21)
InChIKeyCVJSAKDXGRFWCI-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.36
Rot. Bonds4

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

methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate (PubChem CID 133421125) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate
PubChem CID133421125
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Namemethyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCN(C3CCCCC3O)CC2)nc1C
InChIInChI=1S/C19H29N3O3/c1-13-15(19(24)25-2)7-8-18(20-13)21-14-9-11-22(12-10-14)16-5-3-4-6-17(16)23/h7-8,14,16-17,23H,3-6,9-12H2,1-2H3,(H,20,21)
InChIKeyCVJSAKDXGRFWCI-UHFFFAOYSA-N
XLogP2.36
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-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

Related Compounds

methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate
CID 133433125
methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate
CID 133420318
methyl 6-(cyclopent-3-en-1-ylamino)-2-methylpyridine-3-carboxylate
CID 115875701
methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate
CID 102609129
methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 100685192
2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133472742
2-[4-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376350
[6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133376286
2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376514
methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate
CID 75434367
methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 113337632
2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376301

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate (CID 133421125) is methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(NC2CCN(C3CCCCC3O)CC2)nc1C.
What is the InChIKey of methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate?
The InChIKey is CVJSAKDXGRFWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-15(19(24)25-2)7-8-18(20-13)21-14-9-11-22(12-10-14)16-5-3-4-6-17(16)23/h7-8,14,16-17,23H,3-6,9-12H2,1-2H3,(H,20,21).
What are the key properties of methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate?
methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 133421125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).