methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate

C15H22N2O3 — CID 106132514

IUPACmethyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNCC2CCCC(O)C2)nc1
InChIInChI=1S/C15H22N2O3/c1-20-15(19)12-5-6-13(17-9-12)10-16-8-11-3-2-4-14(18)7-11/h5-6,9,11,14,16,18H,2-4,7-8,10H2,1H3
InChIKeyINIWNWZNGXYLRJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.51
Rot. Bonds5

About methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate

methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate (PubChem CID 106132514) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate
PubChem CID106132514
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNCC2CCCC(O)C2)nc1
InChIInChI=1S/C15H22N2O3/c1-20-15(19)12-5-6-13(17-9-12)10-16-8-11-3-2-4-14(18)7-11/h5-6,9,11,14,16,18H,2-4,7-8,10H2,1H3
InChIKeyINIWNWZNGXYLRJ-UHFFFAOYSA-N
XLogP1.51
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol
CID 113373381
6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid
CID 106133497
6-(dimethylamino)-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103690739
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate
CID 106940607
methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate
CID 114616881
methyl 6-[(3-ethylsulfanylpropylamino)methyl]pyridine-3-carboxylate
CID 114248126
6-[(cyclopentylmethylamino)methyl]pyridin-3-ol
CID 79776493
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
methyl 6-[[(2-hydroxy-3-methylbutyl)amino]methyl]pyridine-3-carboxylate
CID 113492195
methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate
CID 81170020
methyl 6-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]pyridine-3-carboxylate
CID 115359742

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate (CID 106132514) is methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CNCC2CCCC(O)C2)nc1.
What is the InChIKey of methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate?
The InChIKey is INIWNWZNGXYLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-15(19)12-5-6-13(17-9-12)10-16-8-11-3-2-4-14(18)7-11/h5-6,9,11,14,16,18H,2-4,7-8,10H2,1H3.
What are the key properties of methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate?
methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 106132514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).