1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C28H29N5O2 — CID 55864204

IUPAC1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2nn(CN3CCC(C(=O)Nc4ccc(C)cn4)CC3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C28H29N5O2/c1-19-7-10-21(11-8-19)26-23-5-3-4-6-24(23)28(35)33(31-26)18-32-15-13-22(14-16-32)27(34)30-25-12-9-20(2)17-29-25/h3-12,17,22H,13-16,18H2,1-2H3,(H,29,30,34)
InChIKeyLQNMJROLNDYHTQ-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.38
Rot. Bonds5

About 1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55864204) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55864204
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2nn(CN3CCC(C(=O)Nc4ccc(C)cn4)CC3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C28H29N5O2/c1-19-7-10-21(11-8-19)26-23-5-3-4-6-24(23)28(35)33(31-26)18-32-15-13-22(14-16-32)27(34)30-25-12-9-20(2)17-29-25/h3-12,17,22H,13-16,18H2,1-2H3,(H,29,30,34)
InChIKeyLQNMJROLNDYHTQ-UHFFFAOYSA-N
XLogP4.38
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide 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-[(2-methyl-5-oxopyrrolidin-1-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56806493
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55922959
N-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
CID 55865734
1-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56521996
4-(4-methylphenyl)-2-phenacylphthalazin-1-one
CID 22333322
4-(4-methylphenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]phthalazin-1-one
CID 38955295
1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55865731
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120898685
1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 97006508
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 120898687
1-[2-(methoxymethyl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810115

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55864204) is 1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(-c2nn(CN3CCC(C(=O)Nc4ccc(C)cn4)CC3)c(=O)c3ccccc23)cc1.
What is the InChIKey of 1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is LQNMJROLNDYHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-19-7-10-21(11-8-19)26-23-5-3-4-6-24(23)28(35)33(31-26)18-32-15-13-22(14-16-32)27(34)30-25-12-9-20(2)17-29-25/h3-12,17,22H,13-16,18H2,1-2H3,(H,29,30,34).
What are the key properties of 1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55864204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).