ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate

C23H29N3O4 — CID 55636691

IUPACethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCN(C(=O)CCc3ccc(C4CC4C)o3)CC2)nc1
InChIInChI=1S/C23H29N3O4/c1-3-29-23(28)17-4-8-21(24-15-17)25-10-12-26(13-11-25)22(27)9-6-18-5-7-20(30-18)19-14-16(19)2/h4-5,7-8,15-16,19H,3,6,9-14H2,1-2H3
InChIKeyCADTYLKRJQJOPR-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.26
Rot. Bonds7

About ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate

ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate (PubChem CID 55636691) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate
PubChem CID55636691
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Nameethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCN(C(=O)CCc3ccc(C4CC4C)o3)CC2)nc1
InChIInChI=1S/C23H29N3O4/c1-3-29-23(28)17-4-8-21(24-15-17)25-10-12-26(13-11-25)22(27)9-6-18-5-7-20(30-18)19-14-16(19)2/h4-5,7-8,15-16,19H,3,6,9-14H2,1-2H3
InChIKeyCADTYLKRJQJOPR-UHFFFAOYSA-N
XLogP3.26
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate (CID 55636691) is ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CCN(C(=O)CCc3ccc(C4CC4C)o3)CC2)nc1.
What is the InChIKey of ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate?
The InChIKey is CADTYLKRJQJOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-29-23(28)17-4-8-21(24-15-17)25-10-12-26(13-11-25)22(27)9-6-18-5-7-20(30-18)19-14-16(19)2/h4-5,7-8,15-16,19H,3,6,9-14H2,1-2H3.
What are the key properties of ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate?
ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 411.50 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 55636691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).