methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate

C15H23N3O2 — CID 106014285

IUPACmethyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(NCCCC2CCCC2)ncc1N
InChIInChI=1S/C15H23N3O2/c1-20-15(19)12-9-14(18-10-13(12)16)17-8-4-7-11-5-2-3-6-11/h9-11H,2-8,16H2,1H3,(H,17,18)
InChIKeyDKIKMAOGWUCBPO-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.83
Rot. Bonds6

About methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate

methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate (PubChem CID 106014285) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate
PubChem CID106014285
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(NCCCC2CCCC2)ncc1N
InChIInChI=1S/C15H23N3O2/c1-20-15(19)12-9-14(18-10-13(12)16)17-8-4-7-11-5-2-3-6-11/h9-11H,2-8,16H2,1H3,(H,17,18)
InChIKeyDKIKMAOGWUCBPO-UHFFFAOYSA-N
XLogP2.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate
CID 114131931
methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
CID 106039508
methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate
CID 106203427
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 2-amino-5-(2-cyclohexylethylamino)-4-fluorobenzoate
CID 63425766
methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate
CID 114214671
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 106007172
methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate
CID 106407309
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
5-amino-2-[(4-methylcyclohexyl)methylamino]pyridine-4-carboxamide
CID 114090347

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate (CID 106014285) is methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate is COC(=O)c1cc(NCCCC2CCCC2)ncc1N.
What is the InChIKey of methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate?
The InChIKey is DKIKMAOGWUCBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-15(19)12-9-14(18-10-13(12)16)17-8-4-7-11-5-2-3-6-11/h9-11H,2-8,16H2,1H3,(H,17,18).
What are the key properties of methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate?
methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate is sourced from PubChem (CID 106014285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).