N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C22H23N3O4 — CID 47029190

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C22H23N3O4/c26-20-9-3-4-13-25(20)15-18-10-11-19(28-18)21(27)24-14-16-6-5-12-23-22(16)29-17-7-1-2-8-17/h3-6,9-13,17H,1-2,7-8,14-15H2,(H,24,27)
InChIKeyGUQGYCWXMUNWNT-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.14
Rot. Bonds7

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 47029190) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
PubChem CID47029190
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C22H23N3O4/c26-20-9-3-4-13-25(20)15-18-10-11-19(28-18)21(27)24-14-16-6-5-12-23-22(16)29-17-7-1-2-8-17/h3-6,9-13,17H,1-2,7-8,14-15H2,(H,24,27)
InChIKeyGUQGYCWXMUNWNT-UHFFFAOYSA-N
XLogP3.14
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 47029190) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is O=C(NCc1cccnc1OC1CCCC1)c1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is GUQGYCWXMUNWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-20-9-3-4-13-25(20)15-18-10-11-19(28-18)21(27)24-14-16-6-5-12-23-22(16)29-17-7-1-2-8-17/h3-6,9-13,17H,1-2,7-8,14-15H2,(H,24,27).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 47029190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).