1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide

C20H23N3O2 — CID 108976958

IUPAC1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCCc1ccccc1)C1(C(=O)NCc2ccncc2)CC1
InChIInChI=1S/C20H23N3O2/c24-18(22-12-4-7-16-5-2-1-3-6-16)20(10-11-20)19(25)23-15-17-8-13-21-14-9-17/h1-3,5-6,8-9,13-14H,4,7,10-12,15H2,(H,22,24)(H,23,25)
InChIKeyXRIAAXGTDDETPL-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.23
Rot. Bonds8

About 1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide

1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108976958) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108976958
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCCc1ccccc1)C1(C(=O)NCc2ccncc2)CC1
InChIInChI=1S/C20H23N3O2/c24-18(22-12-4-7-16-5-2-1-3-6-16)20(10-11-20)19(25)23-15-17-8-13-21-14-9-17/h1-3,5-6,8-9,13-14H,4,7,10-12,15H2,(H,22,24)(H,23,25)
InChIKeyXRIAAXGTDDETPL-UHFFFAOYSA-N
XLogP2.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971239
1-N'-(2-ethylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976988
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
1-N'-benzyl-1-N-[4-(diaminomethylideneamino)butyl]cyclobutane-1,1-dicarboxamide
CID 70271375
N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide
CID 15462164
1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
CID 121165553
1-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 108976967
1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979235
1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970227
1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979188
2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963643
1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108974881

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide (CID 108976958) is 1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide is O=C(NCCCc1ccccc1)C1(C(=O)NCc2ccncc2)CC1.
What is the InChIKey of 1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is XRIAAXGTDDETPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-18(22-12-4-7-16-5-2-1-3-6-16)20(10-11-20)19(25)23-15-17-8-13-21-14-9-17/h1-3,5-6,8-9,13-14H,4,7,10-12,15H2,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide?
1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).