3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide

C22H18N4O2 — CID 151671249

IUPAC3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(Cc3ccncc3)c3ccccc23)c1
InChIInChI=1S/C22H18N4O2/c1-28-17-6-4-5-16(14-17)22(27)24-21-19-8-3-2-7-18(19)20(25-26-21)13-15-9-11-23-12-10-15/h2-12,14H,13H2,1H3,(H,24,26,27)
InChIKeyQYPICSMJWAOWEF-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.88
Rot. Bonds5

About 3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide

3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide (PubChem CID 151671249) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide
PubChem CID151671249
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(Cc3ccncc3)c3ccccc23)c1
InChIInChI=1S/C22H18N4O2/c1-28-17-6-4-5-16(14-17)22(27)24-21-19-8-3-2-7-18(19)20(25-26-21)13-15-9-11-23-12-10-15/h2-12,14H,13H2,1H3,(H,24,26,27)
InChIKeyQYPICSMJWAOWEF-UHFFFAOYSA-N
XLogP3.88
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea
CID 127033213
anisole;4-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 174471557
2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 94280101
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055230
1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
CID 17226091
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide
CID 24954488
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993687

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide (CID 151671249) is 3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide is COc1cccc(C(=O)Nc2nnc(Cc3ccncc3)c3ccccc23)c1.
What is the InChIKey of 3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide?
The InChIKey is QYPICSMJWAOWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-17-6-4-5-16(14-17)22(27)24-21-19-8-3-2-7-18(19)20(25-26-21)13-15-9-11-23-12-10-15/h2-12,14H,13H2,1H3,(H,24,26,27).
What are the key properties of 3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide?
3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide is sourced from PubChem (CID 151671249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).