methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate

C13H21N3O3 — CID 114131931

IUPACmethyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate
SMILESCOCCCCCNc1cc(C(=O)OC)c(N)cn1
InChIInChI=1S/C13H21N3O3/c1-18-7-5-3-4-6-15-12-8-10(13(17)19-2)11(14)9-16-12/h8-9H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyQPHJWVBLLZZAFK-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.68
Rot. Bonds8

About methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate

methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate (PubChem CID 114131931) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate
PubChem CID114131931
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate
SMILESCOCCCCCNc1cc(C(=O)OC)c(N)cn1
InChIInChI=1S/C13H21N3O3/c1-18-7-5-3-4-6-15-12-8-10(13(17)19-2)11(14)9-16-12/h8-9H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyQPHJWVBLLZZAFK-UHFFFAOYSA-N
XLogP1.68
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
CID 106039508
methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate
CID 106014285
methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate
CID 114090411
methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
CID 106341953
methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate
CID 114090203
methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate
CID 106376422
methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate
CID 114090196
methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate
CID 106407309
methyl 5-amino-3-chloro-2-(4-methoxybutylamino)benzoate
CID 107195444
5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide
CID 106039561
5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-4-carboxamide
CID 106341882
4-amino-6-(pentylamino)pyridine-3-carboxylic acid
CID 112517916

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate (CID 114131931) is methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate is COCCCCCNc1cc(C(=O)OC)c(N)cn1.
What is the InChIKey of methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate?
The InChIKey is QPHJWVBLLZZAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-18-7-5-3-4-6-15-12-8-10(13(17)19-2)11(14)9-16-12/h8-9H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate?
methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate is sourced from PubChem (CID 114131931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).