N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C20H25N3O3 — CID 47084325

IUPACN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCc1ccc(C(CNC(=O)C2CC2c2cccnc2)N2CCOCC2)o1
InChIInChI=1S/C20H25N3O3/c1-14-4-5-19(26-14)18(23-7-9-25-10-8-23)13-22-20(24)17-11-16(17)15-3-2-6-21-12-15/h2-6,12,16-18H,7-11,13H2,1H3,(H,22,24)
InChIKeyRUQFZRNZCOXJDK-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.28
Rot. Bonds6

About N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 47084325) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID47084325
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCc1ccc(C(CNC(=O)C2CC2c2cccnc2)N2CCOCC2)o1
InChIInChI=1S/C20H25N3O3/c1-14-4-5-19(26-14)18(23-7-9-25-10-8-23)13-22-20(24)17-11-16(17)15-3-2-6-21-12-15/h2-6,12,16-18H,7-11,13H2,1H3,(H,22,24)
InChIKeyRUQFZRNZCOXJDK-UHFFFAOYSA-N
XLogP2.28
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 47084325) is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is Cc1ccc(C(CNC(=O)C2CC2c2cccnc2)N2CCOCC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is RUQFZRNZCOXJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-4-5-19(26-14)18(23-7-9-25-10-8-23)13-22-20(24)17-11-16(17)15-3-2-6-21-12-15/h2-6,12,16-18H,7-11,13H2,1H3,(H,22,24).
What are the key properties of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 47084325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).