4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide

C18H17N5O2 — CID 9464783

IUPAC4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)N/N=C\c2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C18H17N5O2/c1-12(2)23-18(25)15-9-4-3-8-14(15)16(22-23)17(24)21-20-11-13-7-5-6-10-19-13/h3-12H,1-2H3,(H,21,24)/b20-11-
InChIKeyJQZLHFPNWHEPQQ-JAIQZWGSSA-N
MW335.37 g/mol
LogP2.14
Rot. Bonds4

About 4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide

4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide (PubChem CID 9464783) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide
PubChem CID9464783
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)N/N=C\c2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C18H17N5O2/c1-12(2)23-18(25)15-9-4-3-8-14(15)16(22-23)17(24)21-20-11-13-7-5-6-10-19-13/h3-12H,1-2H3,(H,21,24)/b20-11-
InChIKeyJQZLHFPNWHEPQQ-JAIQZWGSSA-N
XLogP2.14
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-oxo-3-propan-2-yl-N-[(Z)-pyridin-4-ylmethylideneamino]phthalazine-1-carboxamide
CID 9464908
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 9464915
N-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 9464884
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 9464971
4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
CID 46651958
N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 9394597
4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2664740
N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 9465003
N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78794453
methyl (2S)-2-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]propanoate
CID 87040056
3-methyl-4-oxo-N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]phthalazine-1-carboxamide
CID 42993119

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide (CID 9464783) is 4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide is CC(C)n1nc(C(=O)N/N=C\c2ccccn2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide?
The InChIKey is JQZLHFPNWHEPQQ-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12(2)23-18(25)15-9-4-3-8-14(15)16(22-23)17(24)21-20-11-13-7-5-6-10-19-13/h3-12H,1-2H3,(H,21,24)/b20-11-.
What are the key properties of 4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide?
4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide is sourced from PubChem (CID 9464783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).