1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide

C22H24N4O2 — CID 109143947

IUPAC1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C22H24N4O2/c1-3-26(4-2)17-11-9-16(10-12-17)24-21(27)18-13-19(18)22(28)25-20-8-6-5-7-15(20)14-23/h5-12,18-19H,3-4,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLDVUPPQHKXKELC-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.62
Rot. Bonds7

About 1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide

1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109143947) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109143947
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C22H24N4O2/c1-3-26(4-2)17-11-9-16(10-12-17)24-21(27)18-13-19(18)22(28)25-20-8-6-5-7-15(20)14-23/h5-12,18-19H,3-4,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLDVUPPQHKXKELC-UHFFFAOYSA-N
XLogP3.62
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143302
1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142108
2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141896
1-N-(2-cyanophenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109131004
1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135868
2-N-[4-(diethylamino)phenyl]-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143951
N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide
CID 109178717
N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
CID 43824183
N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131939
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
1-N-(2-cyanophenyl)-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144163
1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149507

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide (CID 109143947) is 1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide is CCN(CC)c1ccc(NC(=O)C2CC2C(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of 1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is LDVUPPQHKXKELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-26(4-2)17-11-9-16(10-12-17)24-21(27)18-13-19(18)22(28)25-20-8-6-5-7-15(20)14-23/h5-12,18-19H,3-4,13H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide?
1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).