N-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride

C17H18Cl2N4O2 — CID 67030548

IUPACN-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride
SMILESCC(=O)Nc1cccc(C#Cc2ccc(CC(=O)NN)cc2)n1.Cl.Cl
InChIInChI=1S/C17H16N4O2.2ClH/c1-12(22)19-16-4-2-3-15(20-16)10-9-13-5-7-14(8-6-13)11-17(23)21-18;;/h2-8H,11,18H2,1H3,(H,21,23)(H,19,20,22);2*1H
InChIKeyYYCNUJCSQVFNEI-UHFFFAOYSA-N
MW381.26 g/mol
LogP1.82
Rot. Bonds3

About N-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride

N-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride (PubChem CID 67030548) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride
PubChem CID67030548
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC NameN-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride
SMILESCC(=O)Nc1cccc(C#Cc2ccc(CC(=O)NN)cc2)n1.Cl.Cl
InChIInChI=1S/C17H16N4O2.2ClH/c1-12(22)19-16-4-2-3-15(20-16)10-9-13-5-7-14(8-6-13)11-17(23)21-18;;/h2-8H,11,18H2,1H3,(H,21,23)(H,19,20,22);2*1H
InChIKeyYYCNUJCSQVFNEI-UHFFFAOYSA-N
XLogP1.82
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4,6-dimethylpyridin-2-yl)-2-phenylbutanamide
CID 2852109
4-benzoyl-N-(6-methyl-2-pyridinyl)benzamide
CID 24983073
N-[4,6-bis(4-acetylphenyl)-2-pyridinyl]acetamide
CID 137661769
N-(6-Methyl-2-pyridinyl)[1,1'-biphenyl]-4-acetamide
CID 18107213
N,N'-bis(6-methyl-2-pyridinyl)terephthalamide
CID 811132
US9603833, Example 89
CID 44538576
US9603833, Example 92
CID 58181309
N-(4,6-dimethyl-2-pyridinyl)-2,2-diphenylacetamide
CID 844918
2-(4-methylphenyl)-N-(6-methylpyridin-2-yl)acetamide
CID 890595
N-(6-methylpyridin-2-yl)-[1,1'-biphenyl]-4-carboxamide
CID 2837010
2-[4-(2-methylpropyl)phenyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 10334748
US9603833, Example 51
CID 44538062

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride?
The IUPAC name of N-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride (CID 67030548) is N-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride.
What is the SMILES notation for N-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride?
The canonical SMILES for N-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride is CC(=O)Nc1cccc(C#Cc2ccc(CC(=O)NN)cc2)n1.Cl.Cl.
What is the InChIKey of N-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride?
The InChIKey is YYCNUJCSQVFNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2.2ClH/c1-12(22)19-16-4-2-3-15(20-16)10-9-13-5-7-14(8-6-13)11-17(23)21-18;;/h2-8H,11,18H2,1H3,(H,21,23)(H,19,20,22);2*1H.
What are the key properties of N-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride?
N-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride has a molecular weight of 381.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethynyl]-2-pyridinyl]acetamide;dihydrochloride is sourced from PubChem (CID 67030548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).