N-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide

C13H20N4O — CID 167138663

IUPACN-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide
SMILESCc1ncc(NC(=O)CN2CCCC2C)cc1N
InChIInChI=1S/C13H20N4O/c1-9-4-3-5-17(9)8-13(18)16-11-6-12(14)10(2)15-7-11/h6-7,9H,3-5,8,14H2,1-2H3,(H,16,18)
InChIKeyXPLMTOSXRFMFBN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.40
Rot. Bonds3

About N-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide

N-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide (PubChem CID 167138663) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide
PubChem CID167138663
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide
SMILESCc1ncc(NC(=O)CN2CCCC2C)cc1N
InChIInChI=1S/C13H20N4O/c1-9-4-3-5-17(9)8-13(18)16-11-6-12(14)10(2)15-7-11/h6-7,9H,3-5,8,14H2,1-2H3,(H,16,18)
InChIKeyXPLMTOSXRFMFBN-UHFFFAOYSA-N
XLogP1.40
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide (CID 167138663) is N-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide is Cc1ncc(NC(=O)CN2CCCC2C)cc1N.
What is the InChIKey of N-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide?
The InChIKey is XPLMTOSXRFMFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-4-3-5-17(9)8-13(18)16-11-6-12(14)10(2)15-7-11/h6-7,9H,3-5,8,14H2,1-2H3,(H,16,18).
What are the key properties of N-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide?
N-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 167138663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).