1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide

C15H17N3O2 — CID 109130608

IUPAC1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
SMILESCCCNC(=O)C1CC1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H17N3O2/c1-2-6-17-14(19)12-8-13(12)15(20)18-11-5-3-4-10(7-11)9-16/h3-5,7,12-13H,2,6,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyGCSSYZPXPJAGTG-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.66
Rot. Bonds5

About 1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide

1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide (PubChem CID 109130608) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
PubChem CID109130608
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
SMILESCCCNC(=O)C1CC1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H17N3O2/c1-2-6-17-14(19)12-8-13(12)15(20)18-11-5-3-4-10(7-11)9-16/h3-5,7,12-13H,2,6,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyGCSSYZPXPJAGTG-UHFFFAOYSA-N
XLogP1.66
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133078
1-N-(3-cyanophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141101
1-N-(3-fluorophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130579
1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137966
1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136011
1-N-(3-cyanophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143462
2-N-(3-cyanophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140997
1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143641
1-(3-cyanophenyl)-3-propylthiourea
CID 7941260
2-N-(3-chloro-4-methoxyphenyl)-1-N-(3-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143267
4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147163
1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143968

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide (CID 109130608) is 1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide is CCCNC(=O)C1CC1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide?
The InChIKey is GCSSYZPXPJAGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-6-17-14(19)12-8-13(12)15(20)18-11-5-3-4-10(7-11)9-16/h3-5,7,12-13H,2,6,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide?
1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109130608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).