2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide

C15H24N4O — CID 43700405

IUPAC2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C15H24N4O/c1-3-11(2)13(16)15(20)18-12-7-6-8-17-14(12)19-9-4-5-10-19/h6-8,11,13H,3-5,9-10,16H2,1-2H3,(H,18,20)
InChIKeyHWXJONAEFPLJCI-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.99
Rot. Bonds5

About 2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide

2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide (PubChem CID 43700405) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
PubChem CID43700405
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C15H24N4O/c1-3-11(2)13(16)15(20)18-12-7-6-8-17-14(12)19-9-4-5-10-19/h6-8,11,13H,3-5,9-10,16H2,1-2H3,(H,18,20)
InChIKeyHWXJONAEFPLJCI-UHFFFAOYSA-N
XLogP1.99
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide (CID 43700405) is 2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide is CCC(C)C(N)C(=O)Nc1cccnc1N1CCCC1.
What is the InChIKey of 2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide?
The InChIKey is HWXJONAEFPLJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-11(2)13(16)15(20)18-12-7-6-8-17-14(12)19-9-4-5-10-19/h6-8,11,13H,3-5,9-10,16H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide?
2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide has a molecular weight of 276.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide is sourced from PubChem (CID 43700405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).