N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide

C19H22N4O2 — CID 113011160

IUPACN-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(N3CCN(C=O)CC3)nc2)c1
InChIInChI=1S/C19H22N4O2/c1-15-3-2-4-16(11-15)12-19(25)21-17-5-6-18(20-13-17)23-9-7-22(14-24)8-10-23/h2-6,11,13-14H,7-10,12H2,1H3,(H,21,25)
InChIKeyIWSXKQNBUGJDQL-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.85
Rot. Bonds5

About N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide

N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide (PubChem CID 113011160) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide
PubChem CID113011160
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(N3CCN(C=O)CC3)nc2)c1
InChIInChI=1S/C19H22N4O2/c1-15-3-2-4-16(11-15)12-19(25)21-17-5-6-18(20-13-17)23-9-7-22(14-24)8-10-23/h2-6,11,13-14H,7-10,12H2,1H3,(H,21,25)
InChIKeyIWSXKQNBUGJDQL-UHFFFAOYSA-N
XLogP1.85
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113011137
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 113011103
2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 39181745
2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298207
N-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113015543
2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 122298592
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113011060
2-phenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 155597278
2-(3-methylphenyl)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7593368
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 113011122
N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689504

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide (CID 113011160) is N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(N3CCN(C=O)CC3)nc2)c1.
What is the InChIKey of N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The InChIKey is IWSXKQNBUGJDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-15-3-2-4-16(11-15)12-19(25)21-17-5-6-18(20-13-17)23-9-7-22(14-24)8-10-23/h2-6,11,13-14H,7-10,12H2,1H3,(H,21,25).
What are the key properties of N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113011160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).