methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate

C13H21N3O2 — CID 114090196

IUPACmethyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate
SMILESCCC(Nc1cc(C(=O)OC)c(N)cn1)C(C)C
InChIInChI=1S/C13H21N3O2/c1-5-11(8(2)3)16-12-6-9(13(17)18-4)10(14)7-15-12/h6-8,11H,5,14H2,1-4H3,(H,15,16)
InChIKeyQQWFOYCMHWDXMQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.30
Rot. Bonds5

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

methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate (PubChem CID 114090196) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate
PubChem CID114090196
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate
SMILESCCC(Nc1cc(C(=O)OC)c(N)cn1)C(C)C
InChIInChI=1S/C13H21N3O2/c1-5-11(8(2)3)16-12-6-9(13(17)18-4)10(14)7-15-12/h6-8,11H,5,14H2,1-4H3,(H,15,16)
InChIKeyQQWFOYCMHWDXMQ-UHFFFAOYSA-N
XLogP2.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate
CID 114090411
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-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
CID 106341953
methyl 5-amino-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylate
CID 114090067
methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate
CID 114090125
ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate
CID 114090593
methyl 2-(2-methylpentan-3-ylamino)benzoate
CID 43774537
methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate
CID 106407309
methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate
CID 106376422
methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate
CID 106014285
methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate
CID 114090358

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate (CID 114090196) is methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate is CCC(Nc1cc(C(=O)OC)c(N)cn1)C(C)C.
What is the InChIKey of methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate?
The InChIKey is QQWFOYCMHWDXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-11(8(2)3)16-12-6-9(13(17)18-4)10(14)7-15-12/h6-8,11H,5,14H2,1-4H3,(H,15,16).
What are the key properties of methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate?
methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate is sourced from PubChem (CID 114090196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).