2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide

C12H17N5O — CID 82817305

IUPAC2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1nccc(C#N)c1N
InChIInChI=1S/C12H17N5O/c1-2-3-6-17(8-10(14)18)12-11(15)9(7-13)4-5-16-12/h4-5H,2-3,6,8,15H2,1H3,(H2,14,18)
InChIKeyLZWBAIAJRFBRTR-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.63
Rot. Bonds6

About 2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide

2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide (PubChem CID 82817305) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide
PubChem CID82817305
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1nccc(C#N)c1N
InChIInChI=1S/C12H17N5O/c1-2-3-6-17(8-10(14)18)12-11(15)9(7-13)4-5-16-12/h4-5H,2-3,6,8,15H2,1H3,(H2,14,18)
InChIKeyLZWBAIAJRFBRTR-UHFFFAOYSA-N
XLogP0.63
TPSA109.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide?
The IUPAC name of 2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide (CID 82817305) is 2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide.
What is the SMILES notation for 2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide?
The canonical SMILES for 2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide is CCCCN(CC(N)=O)c1nccc(C#N)c1N.
What is the InChIKey of 2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide?
The InChIKey is LZWBAIAJRFBRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-3-6-17(8-10(14)18)12-11(15)9(7-13)4-5-16-12/h4-5H,2-3,6,8,15H2,1H3,(H2,14,18).
What are the key properties of 2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide?
2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide is sourced from PubChem (CID 82817305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).