N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C20H18N6O2 — CID 37185608

IUPACN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NCc2cccnc2-n2ccnc2)c(=O)c2ccccc12
InChIInChI=1S/C20H18N6O2/c1-14-16-6-2-3-7-17(16)20(28)26(24-14)12-18(27)23-11-15-5-4-8-22-19(15)25-10-9-21-13-25/h2-10,13H,11-12H2,1H3,(H,23,27)
InChIKeyUYVVFBLKAITALA-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.60
Rot. Bonds5

About N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 37185608) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID37185608
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NCc2cccnc2-n2ccnc2)c(=O)c2ccccc12
InChIInChI=1S/C20H18N6O2/c1-14-16-6-2-3-7-17(16)20(28)26(24-14)12-18(27)23-11-15-5-4-8-22-19(15)25-10-9-21-13-25/h2-10,13H,11-12H2,1H3,(H,23,27)
InChIKeyUYVVFBLKAITALA-UHFFFAOYSA-N
XLogP1.60
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
CID 90485291
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38295923
(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509155
N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445219
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 56812625
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide
CID 154794418
1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide
CID 56754198
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 56711373
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36511322
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 37194009

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 37185608) is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)NCc2cccnc2-n2ccnc2)c(=O)c2ccccc12.
What is the InChIKey of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is UYVVFBLKAITALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-14-16-6-2-3-7-17(16)20(28)26(24-14)12-18(27)23-11-15-5-4-8-22-19(15)25-10-9-21-13-25/h2-10,13H,11-12H2,1H3,(H,23,27).
What are the key properties of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 37185608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).