N-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide

C16H17N5O — CID 164854097

IUPACN-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide
SMILESN#CCCCCc1ccc(NC(=O)Cc2ccccn2)nn1
InChIInChI=1S/C16H17N5O/c17-10-4-1-2-6-13-8-9-15(21-20-13)19-16(22)12-14-7-3-5-11-18-14/h3,5,7-9,11H,1-2,4,6,12H2,(H,19,21,22)
InChIKeyHRZJPZLQZUNBPG-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.29
Rot. Bonds7

About N-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide

N-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide (PubChem CID 164854097) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide
PubChem CID164854097
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide
SMILESN#CCCCCc1ccc(NC(=O)Cc2ccccn2)nn1
InChIInChI=1S/C16H17N5O/c17-10-4-1-2-6-13-8-9-15(21-20-13)19-16(22)12-14-7-3-5-11-18-14/h3,5,7-9,11H,1-2,4,6,12H2,(H,19,21,22)
InChIKeyHRZJPZLQZUNBPG-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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Related Compounds

N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
2-pyridin-2-yl-N-[6-[(1S,3R)-3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
CID 118396918
N-[5-[4-[6-[[2-(4-cyclopropyl-6-methyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
CID 168863554
N-(2-hydroxyphenyl)-2-pyridin-2-ylacetamide
CID 11746373
2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113042022
N-(6-fluoro-2-pyridinyl)-2-pyridin-2-ylacetamide
CID 104820505
N-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide
CID 163437917
N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
CID 63296937
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-2-ylacetamide
CID 107845294
N-[5-[4-[6-[[1-hydroxy-2-[3-hydroxy-5-(trifluoromethoxy)phenyl]ethyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
CID 155171261
N-naphthalen-1-yl-2-pyridin-2-ylacetamide
CID 110468215
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]pentanamide
CID 113041958

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide (CID 164854097) is N-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide is N#CCCCCc1ccc(NC(=O)Cc2ccccn2)nn1.
What is the InChIKey of N-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide?
The InChIKey is HRZJPZLQZUNBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-10-4-1-2-6-13-8-9-15(21-20-13)19-16(22)12-14-7-3-5-11-18-14/h3,5,7-9,11H,1-2,4,6,12H2,(H,19,21,22).
What are the key properties of N-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide?
N-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-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-[6-(4-cyanobutyl)pyridazin-3-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 164854097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).