2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide

C12H15N3O — CID 55211780

IUPAC2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide
SMILESCCC(C#N)C(=O)NCc1ccc(C)nc1
InChIInChI=1S/C12H15N3O/c1-3-11(6-13)12(16)15-8-10-5-4-9(2)14-7-10/h4-5,7,11H,3,8H2,1-2H3,(H,15,16)
InChIKeyAYIIIBAHSNQSQR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.56
Rot. Bonds4

About 2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide

2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide (PubChem CID 55211780) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide
PubChem CID55211780
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide
SMILESCCC(C#N)C(=O)NCc1ccc(C)nc1
InChIInChI=1S/C12H15N3O/c1-3-11(6-13)12(16)15-8-10-5-4-9(2)14-7-10/h4-5,7,11H,3,8H2,1-2H3,(H,15,16)
InChIKeyAYIIIBAHSNQSQR-UHFFFAOYSA-N
XLogP1.56
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62073575
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
(2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 94182165
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide
CID 62995149
2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 55208431
1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583859
2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
CID 115188283
2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 55209942
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62997286
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 104905125

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide?
The IUPAC name of 2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide (CID 55211780) is 2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for 2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide?
The canonical SMILES for 2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide is CCC(C#N)C(=O)NCc1ccc(C)nc1.
What is the InChIKey of 2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide?
The InChIKey is AYIIIBAHSNQSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-11(6-13)12(16)15-8-10-5-4-9(2)14-7-10/h4-5,7,11H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide?
2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide has a molecular weight of 217.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 55211780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).