2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide

C13H18N4O — CID 63886350

IUPAC2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1ccnc(C#N)c1
InChIInChI=1S/C13H18N4O/c1-3-5-16-13(18)10-17(2)9-11-4-6-15-12(7-11)8-14/h4,6-7H,3,5,9-10H2,1-2H3,(H,16,18)
InChIKeyJOQCNWWQONJYGI-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.91
Rot. Bonds6

About 2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide

2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide (PubChem CID 63886350) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide
PubChem CID63886350
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1ccnc(C#N)c1
InChIInChI=1S/C13H18N4O/c1-3-5-16-13(18)10-17(2)9-11-4-6-15-12(7-11)8-14/h4,6-7H,3,5,9-10H2,1-2H3,(H,16,18)
InChIKeyJOQCNWWQONJYGI-UHFFFAOYSA-N
XLogP0.91
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide
CID 62936241
N-ethyl-2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]acetamide
CID 62465711
2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 65344306
2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide
CID 63883092
methyl 2-[(2-cyano-4-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63880461
2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide
CID 62470888
2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62465174
2-[(2-cyano-4-pyridinyl)methyl-methylamino]propanoic acid
CID 63883137
methyl 3-[(2-cyano-4-pyridinyl)methyl-ethylamino]propanoate
CID 63881816
2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 62982745
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 60670069
2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]-N-propylacetamide
CID 8925345

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide (CID 63886350) is 2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1ccnc(C#N)c1.
What is the InChIKey of 2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide?
The InChIKey is JOQCNWWQONJYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-5-16-13(18)10-17(2)9-11-4-6-15-12(7-11)8-14/h4,6-7H,3,5,9-10H2,1-2H3,(H,16,18).
What are the key properties of 2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide?
2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide has a molecular weight of 246.31 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 63886350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).