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

C17H18N4O2 — CID 108976772

IUPAC1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1cccnc1)C1(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C17H18N4O2/c22-15(20-11-13-3-1-7-18-9-13)17(5-6-17)16(23)21-12-14-4-2-8-19-10-14/h1-4,7-10H,5-6,11-12H2,(H,20,22)(H,21,23)
InChIKeySLUOUOYCKGZIOC-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.19
Rot. Bonds6

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

1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108976772) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108976772
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1cccnc1)C1(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C17H18N4O2/c22-15(20-11-13-3-1-7-18-9-13)17(5-6-17)16(23)21-12-14-4-2-8-19-10-14/h1-4,7-10H,5-6,11-12H2,(H,20,22)(H,21,23)
InChIKeySLUOUOYCKGZIOC-UHFFFAOYSA-N
XLogP1.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970227
1-[(E)-N'-hydroxycarbamimidoyl]-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 80591201
1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976890
1-N'-(4-piperidin-1-ylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976886
1-N'-(2-methyl-6-propan-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976842
1-N'-(4-chloro-2-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976852
1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976889
1-N'-(2-methoxy-5-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976865
1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 108976826
N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108976801
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 115441427

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide (CID 108976772) is 1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide is O=C(NCc1cccnc1)C1(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is SLUOUOYCKGZIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-15(20-11-13-3-1-7-18-9-13)17(5-6-17)16(23)21-12-14-4-2-8-19-10-14/h1-4,7-10H,5-6,11-12H2,(H,20,22)(H,21,23).
What are the key properties of 1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide?
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).