2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide

C10H13N5O — CID 103467546

IUPAC2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(N)c(C#N)n1
InChIInChI=1S/C10H13N5O/c1-13-10(16)6-15(2)9-4-3-7(12)8(5-11)14-9/h3-4H,6,12H2,1-2H3,(H,13,16)
InChIKeyRPGTZVWBBFKSBY-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.28
Rot. Bonds3

About 2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide

2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide (PubChem CID 103467546) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide
PubChem CID103467546
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(N)c(C#N)n1
InChIInChI=1S/C10H13N5O/c1-13-10(16)6-15(2)9-4-3-7(12)8(5-11)14-9/h3-4H,6,12H2,1-2H3,(H,13,16)
InChIKeyRPGTZVWBBFKSBY-UHFFFAOYSA-N
XLogP-0.28
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide (CID 103467546) is 2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1ccc(N)c(C#N)n1.
What is the InChIKey of 2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide?
The InChIKey is RPGTZVWBBFKSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-13-10(16)6-15(2)9-4-3-7(12)8(5-11)14-9/h3-4H,6,12H2,1-2H3,(H,13,16).
What are the key properties of 2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide?
2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide has a molecular weight of 219.25 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 103467546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).