2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

C20H22N4O4 — CID 109136889

IUPAC2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccn1)C1CC1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H22N4O4/c25-18(22-13-14-4-1-2-6-21-14)15-12-16(15)19(26)23-7-9-24(10-8-23)20(27)17-5-3-11-28-17/h1-6,11,15-16H,7-10,12-13H2,(H,22,25)
InChIKeyPMUCVIFCTSUYRX-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.91
Rot. Bonds5

About 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 109136889) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID109136889
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccn1)C1CC1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H22N4O4/c25-18(22-13-14-4-1-2-6-21-14)15-12-16(15)19(26)23-7-9-24(10-8-23)20(27)17-5-3-11-28-17/h1-6,11,15-16H,7-10,12-13H2,(H,22,25)
InChIKeyPMUCVIFCTSUYRX-UHFFFAOYSA-N
XLogP0.91
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109134155
ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109136883
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258548
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 109131470
4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212692
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 109132957
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136864
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 109139132
furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone
CID 109283092
3-(furan-2-carbonyl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 42801098
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136915
N-(pyridin-4-ylmethyl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109137199

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (CID 109136889) is 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1ccccn1)C1CC1C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is PMUCVIFCTSUYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-18(22-13-14-4-1-2-6-21-14)15-12-16(15)19(26)23-7-9-24(10-8-23)20(27)17-5-3-11-28-17/h1-6,11,15-16H,7-10,12-13H2,(H,22,25).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109136889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).