N-(2-cyanopyrimidin-5-yl)butanamide

C9H10N4O — CID 130251918

IUPACN-(2-cyanopyrimidin-5-yl)butanamide
SMILESCCCC(=O)Nc1cnc(C#N)nc1
InChIInChI=1S/C9H10N4O/c1-2-3-9(14)13-7-5-11-8(4-10)12-6-7/h5-6H,2-3H2,1H3,(H,13,14)
InChIKeyIGKWWEKBXPBTJE-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.09
Rot. Bonds3

About N-(2-cyanopyrimidin-5-yl)butanamide

N-(2-cyanopyrimidin-5-yl)butanamide (PubChem CID 130251918) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is N-(2-cyanopyrimidin-5-yl)butanamide.

Molecular Properties

Compound NameN-(2-cyanopyrimidin-5-yl)butanamide
PubChem CID130251918
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC NameN-(2-cyanopyrimidin-5-yl)butanamide
SMILESCCCC(=O)Nc1cnc(C#N)nc1
InChIInChI=1S/C9H10N4O/c1-2-3-9(14)13-7-5-11-8(4-10)12-6-7/h5-6H,2-3H2,1H3,(H,13,14)
InChIKeyIGKWWEKBXPBTJE-UHFFFAOYSA-N
XLogP1.09
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide
CID 130228136
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
CID 91967761
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[4-(1,2,2-tricyanoethenylamino)phenyl]butanamide
CID 168609139
N-(1,2-oxazol-4-yl)butanamide
CID 62416628
2-cyano-N-(2-methylpyrimidin-5-yl)acetamide
CID 130643403
N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903424
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide
CID 113011745
N-pyrazolo[1,5-a]pyrimidin-6-ylbutanamide
CID 166252448
N-[6-(cyclopentylamino)-3-pyridinyl]butanamide
CID 113009849

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopyrimidin-5-yl)butanamide?
The IUPAC name of N-(2-cyanopyrimidin-5-yl)butanamide (CID 130251918) is N-(2-cyanopyrimidin-5-yl)butanamide.
What is the SMILES notation for N-(2-cyanopyrimidin-5-yl)butanamide?
The canonical SMILES for N-(2-cyanopyrimidin-5-yl)butanamide is CCCC(=O)Nc1cnc(C#N)nc1.
What is the InChIKey of N-(2-cyanopyrimidin-5-yl)butanamide?
The InChIKey is IGKWWEKBXPBTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-2-3-9(14)13-7-5-11-8(4-10)12-6-7/h5-6H,2-3H2,1H3,(H,13,14).
What are the key properties of N-(2-cyanopyrimidin-5-yl)butanamide?
N-(2-cyanopyrimidin-5-yl)butanamide has a molecular weight of 190.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopyrimidin-5-yl)butanamide is sourced from PubChem (CID 130251918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).