2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide

C11H15N5O — CID 54989077

IUPAC2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)c1ncc(N)cc1C#N
InChIInChI=1S/C11H15N5O/c1-7(2)16(6-10(14)17)11-8(4-12)3-9(13)5-15-11/h3,5,7H,6,13H2,1-2H3,(H2,14,17)
InChIKeyHJFUVIYRXFUPHC-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.24
Rot. Bonds4

About 2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide

2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide (PubChem CID 54989077) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide
PubChem CID54989077
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)c1ncc(N)cc1C#N
InChIInChI=1S/C11H15N5O/c1-7(2)16(6-10(14)17)11-8(4-12)3-9(13)5-15-11/h3,5,7H,6,13H2,1-2H3,(H2,14,17)
InChIKeyHJFUVIYRXFUPHC-UHFFFAOYSA-N
XLogP0.24
TPSA109.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide (CID 54989077) is 2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)c1ncc(N)cc1C#N.
What is the InChIKey of 2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide?
The InChIKey is HJFUVIYRXFUPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7(2)16(6-10(14)17)11-8(4-12)3-9(13)5-15-11/h3,5,7H,6,13H2,1-2H3,(H2,14,17).
What are the key properties of 2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide?
2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide has a molecular weight of 233.27 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide is sourced from PubChem (CID 54989077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).