methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate

C12H18N4O2 — CID 83022806

IUPACmethyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NN2CCCCC2)c1N
InChIInChI=1S/C12H18N4O2/c1-18-12(17)9-5-6-14-11(10(9)13)15-16-7-3-2-4-8-16/h5-6H,2-4,7-8,13H2,1H3,(H,14,15)
InChIKeyRAQTZSGTYWCNTJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.26
Rot. Bonds3

About methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate

methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate (PubChem CID 83022806) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate
PubChem CID83022806
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NN2CCCCC2)c1N
InChIInChI=1S/C12H18N4O2/c1-18-12(17)9-5-6-14-11(10(9)13)15-16-7-3-2-4-8-16/h5-6H,2-4,7-8,13H2,1H3,(H,14,15)
InChIKeyRAQTZSGTYWCNTJ-UHFFFAOYSA-N
XLogP1.26
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate (CID 83022806) is methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate is COC(=O)c1ccnc(NN2CCCCC2)c1N.
What is the InChIKey of methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate?
The InChIKey is RAQTZSGTYWCNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-12(17)9-5-6-14-11(10(9)13)15-16-7-3-2-4-8-16/h5-6H,2-4,7-8,13H2,1H3,(H,14,15).
What are the key properties of methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate?
methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate is sourced from PubChem (CID 83022806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).