methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate

C14H24N4O2 — CID 106039508

IUPACmethyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(NCCCN(C)C(C)C)ncc1N
InChIInChI=1S/C14H24N4O2/c1-10(2)18(3)7-5-6-16-13-8-11(14(19)20-4)12(15)9-17-13/h8-10H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyPIDYYLJICKTSHI-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.59
Rot. Bonds7

About methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate

methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate (PubChem CID 106039508) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
PubChem CID106039508
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Namemethyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(NCCCN(C)C(C)C)ncc1N
InChIInChI=1S/C14H24N4O2/c1-10(2)18(3)7-5-6-16-13-8-11(14(19)20-4)12(15)9-17-13/h8-10H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyPIDYYLJICKTSHI-UHFFFAOYSA-N
XLogP1.59
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.59
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

5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide
CID 106039561
methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate
CID 114131931
methyl 2-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]benzoate
CID 106039570
methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate
CID 106014285
methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
CID 106341953
methyl 3-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-2-carboxylate
CID 106045002
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate
CID 114090411
methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate
CID 114090196
methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate
CID 114090203
N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106048487
4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80816494

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate (CID 106039508) is methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate is COC(=O)c1cc(NCCCN(C)C(C)C)ncc1N.
What is the InChIKey of methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate?
The InChIKey is PIDYYLJICKTSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)18(3)7-5-6-16-13-8-11(14(19)20-4)12(15)9-17-13/h8-10H,5-7,15H2,1-4H3,(H,16,17).
What are the key properties of methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate?
methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate is sourced from PubChem (CID 106039508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).