3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide

C11H14N4O — CID 106915472

IUPAC3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cccnc1C#N
InChIInChI=1S/C11H14N4O/c1-13-11(16)5-7-15(2)10-4-3-6-14-9(10)8-12/h3-4,6H,5,7H2,1-2H3,(H,13,16)
InChIKeyXBKWEBOUWIAJPM-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.53
Rot. Bonds4

About 3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide

3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide (PubChem CID 106915472) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide
PubChem CID106915472
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cccnc1C#N
InChIInChI=1S/C11H14N4O/c1-13-11(16)5-7-15(2)10-4-3-6-14-9(10)8-12/h3-4,6H,5,7H2,1-2H3,(H,13,16)
InChIKeyXBKWEBOUWIAJPM-UHFFFAOYSA-N
XLogP0.53
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide (CID 106915472) is 3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1cccnc1C#N.
What is the InChIKey of 3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide?
The InChIKey is XBKWEBOUWIAJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-13-11(16)5-7-15(2)10-4-3-6-14-9(10)8-12/h3-4,6H,5,7H2,1-2H3,(H,13,16).
What are the key properties of 3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide?
3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide has a molecular weight of 218.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106915472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).