methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate

C14H21N3O2 — CID 107420380

IUPACmethyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NCC2CCCC2C)n1
InChIInChI=1S/C14H21N3O2/c1-9-4-3-5-10(9)8-16-13-11(15)6-7-12(17-13)14(18)19-2/h6-7,9-10H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyJUUFCQJSGOBGDE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.30
Rot. Bonds4

About methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate

methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate (PubChem CID 107420380) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate
PubChem CID107420380
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NCC2CCCC2C)n1
InChIInChI=1S/C14H21N3O2/c1-9-4-3-5-10(9)8-16-13-11(15)6-7-12(17-13)14(18)19-2/h6-7,9-10H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyJUUFCQJSGOBGDE-UHFFFAOYSA-N
XLogP2.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate (CID 107420380) is methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(NCC2CCCC2C)n1.
What is the InChIKey of methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate?
The InChIKey is JUUFCQJSGOBGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-4-3-5-10(9)8-16-13-11(15)6-7-12(17-13)14(18)19-2/h6-7,9-10H,3-5,8,15H2,1-2H3,(H,16,17).
What are the key properties of methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate?
methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 107420380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).