N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide

C13H20N4O2 — CID 67399697

IUPACN-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide
SMILESCOc1nc(N2CCCC2N(C)C(C)=O)ccc1N
InChIInChI=1S/C13H20N4O2/c1-9(18)16(2)12-5-4-8-17(12)11-7-6-10(14)13(15-11)19-3/h6-7,12H,4-5,8,14H2,1-3H3
InChIKeyIHSYIILPGAWMAR-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.08
Rot. Bonds3

About N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide

N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide (PubChem CID 67399697) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide
PubChem CID67399697
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide
SMILESCOc1nc(N2CCCC2N(C)C(C)=O)ccc1N
InChIInChI=1S/C13H20N4O2/c1-9(18)16(2)12-5-4-8-17(12)11-7-6-10(14)13(15-11)19-3/h6-7,12H,4-5,8,14H2,1-3H3
InChIKeyIHSYIILPGAWMAR-UHFFFAOYSA-N
XLogP1.08
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide?
The IUPAC name of N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide (CID 67399697) is N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide is COc1nc(N2CCCC2N(C)C(C)=O)ccc1N.
What is the InChIKey of N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide?
The InChIKey is IHSYIILPGAWMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(18)16(2)12-5-4-8-17(12)11-7-6-10(14)13(15-11)19-3/h6-7,12H,4-5,8,14H2,1-3H3.
What are the key properties of N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide?
N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide has a molecular weight of 264.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]-N-methylacetamide is sourced from PubChem (CID 67399697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).