N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide

C17H15N5O3 — CID 27568019

IUPACN'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H15N5O3/c23-15-13-6-2-1-5-12(13)14(21-22-15)10-20-17(25)16(24)19-9-11-4-3-7-18-8-11/h1-8H,9-10H2,(H,19,24)(H,20,25)(H,22,23)
InChIKeyMLGLTVXGMDWMCT-UHFFFAOYSA-N
MW337.34 g/mol
LogP0.25
Rot. Bonds4

About N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide

N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 27568019) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID27568019
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H15N5O3/c23-15-13-6-2-1-5-12(13)14(21-22-15)10-20-17(25)16(24)19-9-11-4-3-7-18-8-11/h1-8H,9-10H2,(H,19,24)(H,20,25)(H,22,23)
InChIKeyMLGLTVXGMDWMCT-UHFFFAOYSA-N
XLogP0.25
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)oxamide
CID 18567098
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 18567084
ethyl 2-[[2-oxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetyl]amino]acetate
CID 43996615
4-(2-pyridin-3-ylpropyl)-2H-phthalazin-1-one
CID 22386478
N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
CID 6852112
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535
2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 166184628
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 110734347
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762

Frequently Asked Questions

What is the IUPAC name of N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide (CID 27568019) is N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide is O=C(NCc1cccnc1)C(=O)NCc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is MLGLTVXGMDWMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c23-15-13-6-2-1-5-12(13)14(21-22-15)10-20-17(25)16(24)19-9-11-4-3-7-18-8-11/h1-8H,9-10H2,(H,19,24)(H,20,25)(H,22,23).
What are the key properties of N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide?
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 337.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 27568019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).