N-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide

C16H17N5O — CID 122607402

IUPACN-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide
SMILESN#CCCCCc1cnc(NC(=O)Cc2ccncc2)nc1
InChIInChI=1S/C16H17N5O/c17-7-3-1-2-4-14-11-19-16(20-12-14)21-15(22)10-13-5-8-18-9-6-13/h5-6,8-9,11-12H,1-4,10H2,(H,19,20,21,22)
InChIKeyJVSJYIFIBPJMRW-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.29
Rot. Bonds7

About N-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide

N-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide (PubChem CID 122607402) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide
PubChem CID122607402
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide
SMILESN#CCCCCc1cnc(NC(=O)Cc2ccncc2)nc1
InChIInChI=1S/C16H17N5O/c17-7-3-1-2-4-14-11-19-16(20-12-14)21-15(22)10-13-5-8-18-9-6-13/h5-6,8-9,11-12H,1-4,10H2,(H,19,20,21,22)
InChIKeyJVSJYIFIBPJMRW-UHFFFAOYSA-N
XLogP2.29
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide (CID 122607402) is N-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide is N#CCCCCc1cnc(NC(=O)Cc2ccncc2)nc1.
What is the InChIKey of N-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide?
The InChIKey is JVSJYIFIBPJMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-7-3-1-2-4-14-11-19-16(20-12-14)21-15(22)10-13-5-8-18-9-6-13/h5-6,8-9,11-12H,1-4,10H2,(H,19,20,21,22).
What are the key properties of N-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide?
N-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide has a molecular weight of 295.35 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyanobutyl)pyrimidin-2-yl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 122607402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).