N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide

C11H14N4O — CID 104639804

IUPACN-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)N(C)CCC#N)nc1
InChIInChI=1S/C11H14N4O/c1-13-9-4-5-10(14-8-9)11(16)15(2)7-3-6-12/h4-5,8,13H,3,7H2,1-2H3
InChIKeyVHZDDVXNGFLGPQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.11
Rot. Bonds4

About N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide

N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide (PubChem CID 104639804) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
PubChem CID104639804
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)N(C)CCC#N)nc1
InChIInChI=1S/C11H14N4O/c1-13-9-4-5-10(14-8-9)11(16)15(2)7-3-6-12/h4-5,8,13H,3,7H2,1-2H3
InChIKeyVHZDDVXNGFLGPQ-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104641279
N-methyl-5-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
CID 113436189
N-[3-(dimethylamino)propyl]-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104641378
N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104642764
N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 104640906
N-methyl-5-(methylamino)-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
CID 104641380
N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 104640934
5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 113436082
N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide
CID 104639781
N-(3,5-dimethylphenyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104640795
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641145
N',N'-dimethyl-5-(methylamino)pyridine-2-carbohydrazide
CID 104641981

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide (CID 104639804) is N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide is CNc1ccc(C(=O)N(C)CCC#N)nc1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide?
The InChIKey is VHZDDVXNGFLGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-13-9-4-5-10(14-8-9)11(16)15(2)7-3-6-12/h4-5,8,13H,3,7H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide?
N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104639804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).