N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide

C26H26N4O6 — CID 647394

IUPACN-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(c1ccc2c(c1)OCO2)C(C(=O)NC1CCCC1)c1ccncc1)c1ccco1
InChIInChI=1S/C26H26N4O6/c31-23(15-28-25(32)21-6-3-13-34-21)30(19-7-8-20-22(14-19)36-16-35-20)24(17-9-11-27-12-10-17)26(33)29-18-4-1-2-5-18/h3,6-14,18,24H,1-2,4-5,15-16H2,(H,28,32)(H,29,33)
InChIKeyWYZOOOZKCRZWBU-UHFFFAOYSA-N
MW490.52 g/mol
LogP2.97
Rot. Bonds8

About N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 647394) has the molecular formula C26H26N4O6 and a molecular weight of 490.52 g/mol. Its IUPAC name is N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID647394
Molecular FormulaC26H26N4O6
Molecular Weight490.52 g/mol
Exact Mass490.19
IUPAC NameN-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(c1ccc2c(c1)OCO2)C(C(=O)NC1CCCC1)c1ccncc1)c1ccco1
InChIInChI=1S/C26H26N4O6/c31-23(15-28-25(32)21-6-3-13-34-21)30(19-7-8-20-22(14-19)36-16-35-20)24(17-9-11-27-12-10-17)26(33)29-18-4-1-2-5-18/h3,6-14,18,24H,1-2,4-5,15-16H2,(H,28,32)(H,29,33)
InChIKeyWYZOOOZKCRZWBU-UHFFFAOYSA-N
XLogP2.97
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 647394) is N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(c1ccc2c(c1)OCO2)C(C(=O)NC1CCCC1)c1ccncc1)c1ccco1.
What is the InChIKey of N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is WYZOOOZKCRZWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O6/c31-23(15-28-25(32)21-6-3-13-34-21)30(19-7-8-20-22(14-19)36-16-35-20)24(17-9-11-27-12-10-17)26(33)29-18-4-1-2-5-18/h3,6-14,18,24H,1-2,4-5,15-16H2,(H,28,32)(H,29,33).
What are the key properties of N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 490.52 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 647394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).