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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Related Compounds

6-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,3-diamine
CID 107416531
tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate
CID 155190731
[2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 113286599
5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid
CID 114405447
methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
CID 114405484
methyl 5-amino-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 114406704
methyl 5-amino-6-(thian-4-ylamino)pyridine-2-carboxylate
CID 114408034
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
CID 114406962
methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate
CID 114169838
5-amino-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide
CID 114406770
methyl 5-amino-6-(4-methylsulfanylbutylamino)pyridine-2-carboxylate
CID 114407989
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920

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).