methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate

C13H20N4O2 — CID 114406547

IUPACmethyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C13H20N4O2/c1-16(2)9-6-7-17(8-9)12-10(14)4-5-11(15-12)13(18)19-3/h4-5,9H,6-8,14H2,1-3H3
InChIKeyWVICSSSKCXLAGM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.59
Rot. Bonds3

About methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate

methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate (PubChem CID 114406547) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate
PubChem CID114406547
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Namemethyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C13H20N4O2/c1-16(2)9-6-7-17(8-9)12-10(14)4-5-11(15-12)13(18)19-3/h4-5,9H,6-8,14H2,1-3H3
InChIKeyWVICSSSKCXLAGM-UHFFFAOYSA-N
XLogP0.59
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.59
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-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate (CID 114406547) is methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(N2CCC(N(C)C)C2)n1.
What is the InChIKey of methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate?
The InChIKey is WVICSSSKCXLAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16(2)9-6-7-17(8-9)12-10(14)4-5-11(15-12)13(18)19-3/h4-5,9H,6-8,14H2,1-3H3.
What are the key properties of methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate?
methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 0.59, 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-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 114406547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).