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

C14H19N3O2 — CID 108970227

IUPAC1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESCCCNC(=O)C1(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C14H19N3O2/c1-2-7-16-12(18)14(5-6-14)13(19)17-10-11-4-3-8-15-9-11/h3-4,8-9H,2,5-7,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyWJOKAGNRQAFFPX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.00
Rot. Bonds6

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

1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108970227) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108970227
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESCCCNC(=O)C1(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C14H19N3O2/c1-2-7-16-12(18)14(5-6-14)13(19)17-10-11-4-3-8-15-9-11/h3-4,8-9H,2,5-7,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyWJOKAGNRQAFFPX-UHFFFAOYSA-N
XLogP1.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
1-[(E)-N'-hydroxycarbamimidoyl]-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 80591201
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-propyl-3-(pyridin-3-ylmethyl)thiourea
CID 19686579
1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976889
1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976890
1-N'-(2-methoxy-5-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976865
1-N'-(4-piperidin-1-ylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976886
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
N-butyl-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108957797

Frequently Asked Questions

What is the IUPAC name of 1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide (CID 108970227) is 1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide is CCCNC(=O)C1(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is WJOKAGNRQAFFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-7-16-12(18)14(5-6-14)13(19)17-10-11-4-3-8-15-9-11/h3-4,8-9H,2,5-7,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide?
1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).