2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide

C19H25N3O2 — CID 109132767

IUPAC2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC1C(=O)NCc1cccnc1
InChIInChI=1S/C19H25N3O2/c23-18(21-10-8-14-5-2-1-3-6-14)16-11-17(16)19(24)22-13-15-7-4-9-20-12-15/h4-5,7,9,12,16-17H,1-3,6,8,10-11,13H2,(H,21,23)(H,22,24)
InChIKeyYSJHIDVKDQZSAJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.34
Rot. Bonds7

About 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide

2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109132767) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109132767
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC1C(=O)NCc1cccnc1
InChIInChI=1S/C19H25N3O2/c23-18(21-10-8-14-5-2-1-3-6-14)16-11-17(16)19(24)22-13-15-7-4-9-20-12-15/h4-5,7,9,12,16-17H,1-3,6,8,10-11,13H2,(H,21,23)(H,22,24)
InChIKeyYSJHIDVKDQZSAJ-UHFFFAOYSA-N
XLogP2.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133655
N-[2-(cyclohexen-1-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109299486
N-[2-(cyclohexen-1-yl)ethyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109152795
4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 26402975
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
1-N-[2-(cyclohexen-1-yl)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109132801
1-N-(2-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132835
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132821
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132849
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109132824

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109132767) is 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide is O=C(NCCC1=CCCCC1)C1CC1C(=O)NCc1cccnc1.
What is the InChIKey of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is YSJHIDVKDQZSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18(21-10-8-14-5-2-1-3-6-14)16-11-17(16)19(24)22-13-15-7-4-9-20-12-15/h4-5,7,9,12,16-17H,1-3,6,8,10-11,13H2,(H,21,23)(H,22,24).
What are the key properties of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109132767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).