N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide

C15H14N4O2 — CID 61042455

IUPACN-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide
SMILESN#CCCN(C(=O)c1n[nH]c(=O)c2ccccc12)C1CC1
InChIInChI=1S/C15H14N4O2/c16-8-3-9-19(10-6-7-10)15(21)13-11-4-1-2-5-12(11)14(20)18-17-13/h1-2,4-5,10H,3,6-7,9H2,(H,18,20)
InChIKeyVBQMQORAUDXLHE-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.44
Rot. Bonds4

About N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide

N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 61042455) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID61042455
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide
SMILESN#CCCN(C(=O)c1n[nH]c(=O)c2ccccc12)C1CC1
InChIInChI=1S/C15H14N4O2/c16-8-3-9-19(10-6-7-10)15(21)13-11-4-1-2-5-12(11)14(20)18-17-13/h1-2,4-5,10H,3,6-7,9H2,(H,18,20)
InChIKeyVBQMQORAUDXLHE-UHFFFAOYSA-N
XLogP1.44
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 33351575
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 55034385
3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 107517439
N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide
CID 60655163
N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
CID 61067037
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 55041760
N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
CID 5220186
N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521891
N-butan-2-yl-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 43583066
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide
CID 27788102

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide (CID 61042455) is N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide is N#CCCN(C(=O)c1n[nH]c(=O)c2ccccc12)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is VBQMQORAUDXLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-8-3-9-19(10-6-7-10)15(21)13-11-4-1-2-5-12(11)14(20)18-17-13/h1-2,4-5,10H,3,6-7,9H2,(H,18,20).
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide?
N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 61042455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).