N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide

C18H23N5O2 — CID 75370700

IUPACN-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide
SMILESCc1cccc(CNC(=O)CN2CCN(c3ccc(=O)[nH]n3)CC2)c1
InChIInChI=1S/C18H23N5O2/c1-14-3-2-4-15(11-14)12-19-18(25)13-22-7-9-23(10-8-22)16-5-6-17(24)21-20-16/h2-6,11H,7-10,12-13H2,1H3,(H,19,25)(H,21,24)
InChIKeyUBFJUPYWKIQCJQ-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.52
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide

N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide (PubChem CID 75370700) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide
PubChem CID75370700
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide
SMILESCc1cccc(CNC(=O)CN2CCN(c3ccc(=O)[nH]n3)CC2)c1
InChIInChI=1S/C18H23N5O2/c1-14-3-2-4-15(11-14)12-19-18(25)13-22-7-9-23(10-8-22)16-5-6-17(24)21-20-16/h2-6,11H,7-10,12-13H2,1H3,(H,19,25)(H,21,24)
InChIKeyUBFJUPYWKIQCJQ-UHFFFAOYSA-N
XLogP0.52
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 108995714
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 111334072
N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 51323012
benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate
CID 155095919
N-[(2-chlorophenyl)methyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266447
2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 122154551
3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55742598
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38295923
N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 53161279
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide (CID 75370700) is N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide is Cc1cccc(CNC(=O)CN2CCN(c3ccc(=O)[nH]n3)CC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide?
The InChIKey is UBFJUPYWKIQCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14-3-2-4-15(11-14)12-19-18(25)13-22-7-9-23(10-8-22)16-5-6-17(24)21-20-16/h2-6,11H,7-10,12-13H2,1H3,(H,19,25)(H,21,24).
What are the key properties of N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide?
N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 75370700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).