1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide

C18H27N3O2 — CID 108977831

IUPAC1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)N(C)CCc2ccncc2)CC1
InChIInChI=1S/C18H27N3O2/c1-4-5-13-20(2)16(22)18(9-10-18)17(23)21(3)14-8-15-6-11-19-12-7-15/h6-7,11-12H,4-5,8-10,13-14H2,1-3H3
InChIKeyYNENMRKHOSKCFW-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.12
Rot. Bonds8

About 1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide

1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108977831) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108977831
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)N(C)CCc2ccncc2)CC1
InChIInChI=1S/C18H27N3O2/c1-4-5-13-20(2)16(22)18(9-10-18)17(23)21(3)14-8-15-6-11-19-12-7-15/h6-7,11-12H,4-5,8-10,13-14H2,1-3H3
InChIKeyYNENMRKHOSKCFW-UHFFFAOYSA-N
XLogP2.12
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
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-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977816
1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977917
1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977845
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 106979980
1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977897
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973247
N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026028
N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285072
N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113153413

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide (CID 108977831) is 1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide is CCCCN(C)C(=O)C1(C(=O)N(C)CCc2ccncc2)CC1.
What is the InChIKey of 1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is YNENMRKHOSKCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-5-13-20(2)16(22)18(9-10-18)17(23)21(3)14-8-15-6-11-19-12-7-15/h6-7,11-12H,4-5,8-10,13-14H2,1-3H3.
What are the key properties of 1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).