N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide

C13H13N3O2 — CID 6852112

IUPACN-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1n[nH]c(=O)c2ccccc12)C1CC1
InChIInChI=1S/C13H13N3O2/c17-12(8-5-6-8)14-7-11-9-3-1-2-4-10(9)13(18)16-15-11/h1-4,8H,5-7H2,(H,14,17)(H,16,18)
InChIKeyWMJNXYGETWFNRV-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.95
Rot. Bonds3

About N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide

N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide (PubChem CID 6852112) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
PubChem CID6852112
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1n[nH]c(=O)c2ccccc12)C1CC1
InChIInChI=1S/C13H13N3O2/c17-12(8-5-6-8)14-7-11-9-3-1-2-4-10(9)13(18)16-15-11/h1-4,8H,5-7H2,(H,14,17)(H,16,18)
InChIKeyWMJNXYGETWFNRV-UHFFFAOYSA-N
XLogP0.95
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide
CID 7626363
1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749123
2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide
CID 7626487
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide
CID 7626515
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
1-(2,2-dimethylpropyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749124
(4S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95862076
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185876
5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide
CID 133108835
1-N,4-N-bis(isoquinolin-1-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 167988720

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide (CID 6852112) is N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide is O=C(NCc1n[nH]c(=O)c2ccccc12)C1CC1.
What is the InChIKey of N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide?
The InChIKey is WMJNXYGETWFNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-12(8-5-6-8)14-7-11-9-3-1-2-4-10(9)13(18)16-15-11/h1-4,8H,5-7H2,(H,14,17)(H,16,18).
What are the key properties of N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide?
N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 6852112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).