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

C15H22N4O2 — CID 109133655

IUPAC2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCN(C)CCNC(=O)C1CC1C(=O)NCc1cccnc1
InChIInChI=1S/C15H22N4O2/c1-19(2)7-6-17-14(20)12-8-13(12)15(21)18-10-11-4-3-5-16-9-11/h3-5,9,12-13H,6-8,10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyCXIALNXPDDYRBZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.01
Rot. Bonds7

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

2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133655) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133655
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCN(C)CCNC(=O)C1CC1C(=O)NCc1cccnc1
InChIInChI=1S/C15H22N4O2/c1-19(2)7-6-17-14(20)12-8-13(12)15(21)18-10-11-4-3-5-16-9-11/h3-5,9,12-13H,6-8,10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyCXIALNXPDDYRBZ-UHFFFAOYSA-N
XLogP0.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109132767
(3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 89470272
1-N-(2-chlorophenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137091
2-N-[2-(dimethylamino)ethyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133639
1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137105
2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 109137057
1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137094
1-N-(1,3-benzodioxol-5-ylmethyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133652
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137086
(15S)-N-(pyridin-3-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 802639

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109133655) is 2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide is CN(C)CCNC(=O)C1CC1C(=O)NCc1cccnc1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is CXIALNXPDDYRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-19(2)7-6-17-14(20)12-8-13(12)15(21)18-10-11-4-3-5-16-9-11/h3-5,9,12-13H,6-8,10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).