methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate

C15H22N2O2 — CID 63243766

IUPACmethyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC1CCC(C)CC1
InChIInChI=1S/C15H22N2O2/c1-11-5-7-12(8-6-11)10-17-14-13(15(18)19-2)4-3-9-16-14/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,16,17)
InChIKeyRNSNZJJYLAMMPH-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.11
Rot. Bonds4

About methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate

methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate (PubChem CID 63243766) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
PubChem CID63243766
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC1CCC(C)CC1
InChIInChI=1S/C15H22N2O2/c1-11-5-7-12(8-6-11)10-17-14-13(15(18)19-2)4-3-9-16-14/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,16,17)
InChIKeyRNSNZJJYLAMMPH-UHFFFAOYSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate
CID 103269706
methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
CID 62000868
methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
CID 62000295
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
CID 114147498
N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 63539836
ethyl 2-(thian-4-ylmethylamino)pyridine-3-carboxylate
CID 104695484
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
CID 114617741
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate (CID 63243766) is methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate is COC(=O)c1cccnc1NCC1CCC(C)CC1.
What is the InChIKey of methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate?
The InChIKey is RNSNZJJYLAMMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-7-12(8-6-11)10-17-14-13(15(18)19-2)4-3-9-16-14/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate?
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 63243766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).