5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide

C12H16N4O — CID 106236909

IUPAC5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide
SMILESCc1ccc(C#N)c(NCCCCC(N)=O)n1
InChIInChI=1S/C12H16N4O/c1-9-5-6-10(8-13)12(16-9)15-7-3-2-4-11(14)17/h5-6H,2-4,7H2,1H3,(H2,14,17)(H,15,16)
InChIKeyGYLWQCBEXXSCQZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.33
Rot. Bonds6

About 5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide

5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide (PubChem CID 106236909) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide.

Molecular Properties

Compound Name5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide
PubChem CID106236909
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide
SMILESCc1ccc(C#N)c(NCCCCC(N)=O)n1
InChIInChI=1S/C12H16N4O/c1-9-5-6-10(8-13)12(16-9)15-7-3-2-4-11(14)17/h5-6H,2-4,7H2,1H3,(H2,14,17)(H,15,16)
InChIKeyGYLWQCBEXXSCQZ-UHFFFAOYSA-N
XLogP1.33
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile
CID 106842221
6-methyl-2-(octylamino)pyridine-3-carbonitrile
CID 113337282
2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile
CID 130504273
6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile
CID 63964127
2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 112548336
2-[2-(ethylamino)ethylamino]-6-methylpyridine-3-carbonitrile
CID 62664814
6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile
CID 62663569
N-(3-cyano-6-methyl-2-pyridinyl)acetamide
CID 130007246
6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile
CID 103801614
5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide
CID 106238915
6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 79749151
6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile
CID 113343673

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide?
The IUPAC name of 5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide (CID 106236909) is 5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide.
What is the SMILES notation for 5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide?
The canonical SMILES for 5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide is Cc1ccc(C#N)c(NCCCCC(N)=O)n1.
What is the InChIKey of 5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide?
The InChIKey is GYLWQCBEXXSCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-5-6-10(8-13)12(16-9)15-7-3-2-4-11(14)17/h5-6H,2-4,7H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide?
5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide has a molecular weight of 232.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide is sourced from PubChem (CID 106236909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).