methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate

C14H22N4O2 — CID 114405514

IUPACmethyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N2CCC(N(C)C)CC2)n1
InChIInChI=1S/C14H22N4O2/c1-17(2)10-6-8-18(9-7-10)13-11(15)4-5-12(16-13)14(19)20-3/h4-5,10H,6-9,15H2,1-3H3
InChIKeyYKCRSRZLGSXNRB-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.98
Rot. Bonds3

About methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate

methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate (PubChem CID 114405514) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate
PubChem CID114405514
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N2CCC(N(C)C)CC2)n1
InChIInChI=1S/C14H22N4O2/c1-17(2)10-6-8-18(9-7-10)13-11(15)4-5-12(16-13)14(19)20-3/h4-5,10H,6-9,15H2,1-3H3
InChIKeyYKCRSRZLGSXNRB-UHFFFAOYSA-N
XLogP0.98
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate (CID 114405514) is methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(N2CCC(N(C)C)CC2)n1.
What is the InChIKey of methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate?
The InChIKey is YKCRSRZLGSXNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17(2)10-6-8-18(9-7-10)13-11(15)4-5-12(16-13)14(19)20-3/h4-5,10H,6-9,15H2,1-3H3.
What are the key properties of methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate?
methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 114405514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).