2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide

C12H15N3O — CID 79043382

IUPAC2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide
SMILESCc1ncccc1NC(=O)C(C#N)C(C)C
InChIInChI=1S/C12H15N3O/c1-8(2)10(7-13)12(16)15-11-5-4-6-14-9(11)3/h4-6,8,10H,1-3H3,(H,15,16)
InChIKeyPXGSGGATLVDYLS-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.12
Rot. Bonds3

About 2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide

2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide (PubChem CID 79043382) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide
PubChem CID79043382
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide
SMILESCc1ncccc1NC(=O)C(C#N)C(C)C
InChIInChI=1S/C12H15N3O/c1-8(2)10(7-13)12(16)15-11-5-4-6-14-9(11)3/h4-6,8,10H,1-3H3,(H,15,16)
InChIKeyPXGSGGATLVDYLS-UHFFFAOYSA-N
XLogP2.12
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 103930147
(2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119844518
2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide
CID 79041942
2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide
CID 115188542
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679
2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 102805652
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
N-(3-bromoquinolin-8-yl)-2-cyano-3-methylbutanamide
CID 116784504
4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid
CID 79043536
N-[1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 134351059
N-(2-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 79044146
2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 79043546

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide?
The IUPAC name of 2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide (CID 79043382) is 2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide.
What is the SMILES notation for 2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide?
The canonical SMILES for 2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide is Cc1ncccc1NC(=O)C(C#N)C(C)C.
What is the InChIKey of 2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide?
The InChIKey is PXGSGGATLVDYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(2)10(7-13)12(16)15-11-5-4-6-14-9(11)3/h4-6,8,10H,1-3H3,(H,15,16).
What are the key properties of 2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide?
2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide has a molecular weight of 217.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide is sourced from PubChem (CID 79043382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).