methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate

C15H22N2O3 — CID 66287095

IUPACmethyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCC2(O)CCCCCC2)ccn1
InChIInChI=1S/C15H22N2O3/c1-20-14(18)13-10-12(6-9-16-13)17-11-15(19)7-4-2-3-5-8-15/h6,9-10,19H,2-5,7-8,11H2,1H3,(H,16,17)
InChIKeyFDEZOTJJIROPON-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.37
Rot. Bonds4

About methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate

methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate (PubChem CID 66287095) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate
PubChem CID66287095
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCC2(O)CCCCCC2)ccn1
InChIInChI=1S/C15H22N2O3/c1-20-14(18)13-10-12(6-9-16-13)17-11-15(19)7-4-2-3-5-8-15/h6,9-10,19H,2-5,7-8,11H2,1H3,(H,16,17)
InChIKeyFDEZOTJJIROPON-UHFFFAOYSA-N
XLogP2.37
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate (CID 66287095) is methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate is COC(=O)c1cc(NCC2(O)CCCCCC2)ccn1.
What is the InChIKey of methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate?
The InChIKey is FDEZOTJJIROPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-14(18)13-10-12(6-9-16-13)17-11-15(19)7-4-2-3-5-8-15/h6,9-10,19H,2-5,7-8,11H2,1H3,(H,16,17).
What are the key properties of methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate?
methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 66287095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).