3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide

C11H14N4O — CID 106915466

IUPAC3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccnc(C#N)c1
InChIInChI=1S/C11H14N4O/c1-13-11(16)4-6-15(2)10-3-5-14-9(7-10)8-12/h3,5,7H,4,6H2,1-2H3,(H,13,16)
InChIKeyHCZMXMGTFUCKGQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.53
Rot. Bonds4

About 3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide

3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide (PubChem CID 106915466) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide
PubChem CID106915466
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccnc(C#N)c1
InChIInChI=1S/C11H14N4O/c1-13-11(16)4-6-15(2)10-3-5-14-9(7-10)8-12/h3,5,7H,4,6H2,1-2H3,(H,13,16)
InChIKeyHCZMXMGTFUCKGQ-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

Analyze 3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide
CID 62936241
ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate
CID 55210694
3-(4-amino-3-cyano-N-methylanilino)-N-methylpropanamide
CID 106914203
4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile
CID 81055827
3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide
CID 106915472
4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile
CID 113285617
3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide
CID 106915460
4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 62925478
3-[(2-cyano-4-pyridinyl)-cyclopropylamino]propanoic acid
CID 62924637
3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106914216
N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide
CID 166227041

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide (CID 106915466) is 3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1ccnc(C#N)c1.
What is the InChIKey of 3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide?
The InChIKey is HCZMXMGTFUCKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-13-11(16)4-6-15(2)10-3-5-14-9(7-10)8-12/h3,5,7H,4,6H2,1-2H3,(H,13,16).
What are the key properties of 3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide?
3-[(2-cyano-4-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-4-pyridinyl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106915466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).