N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide

C12H18N4O2 — CID 22598773

IUPACN-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide
SMILESCOc1nc(N2CCC(NC(C)=O)C2)ccc1N
InChIInChI=1S/C12H18N4O2/c1-8(17)14-9-5-6-16(7-9)11-4-3-10(13)12(15-11)18-2/h3-4,9H,5-7,13H2,1-2H3,(H,14,17)
InChIKeyDUSLJDUNTLHIKX-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.39
Rot. Bonds3

About N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide

N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide (PubChem CID 22598773) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide
PubChem CID22598773
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide
SMILESCOc1nc(N2CCC(NC(C)=O)C2)ccc1N
InChIInChI=1S/C12H18N4O2/c1-8(17)14-9-5-6-16(7-9)11-4-3-10(13)12(15-11)18-2/h3-4,9H,5-7,13H2,1-2H3,(H,14,17)
InChIKeyDUSLJDUNTLHIKX-UHFFFAOYSA-N
XLogP0.39
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
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-3-yl]acetamide?
The IUPAC name of N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide (CID 22598773) is N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide is COc1nc(N2CCC(NC(C)=O)C2)ccc1N.
What is the InChIKey of N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide?
The InChIKey is DUSLJDUNTLHIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(17)14-9-5-6-16(7-9)11-4-3-10(13)12(15-11)18-2/h3-4,9H,5-7,13H2,1-2H3,(H,14,17).
What are the key properties of N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide?
N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 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-3-yl]acetamide is sourced from PubChem (CID 22598773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).