N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide

C27H30N4O5 — CID 648115

IUPACN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCCOc1ccccc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1
InChIInChI=1S/C27H30N4O5/c1-2-35-22-13-6-5-12-21(22)31(24(32)18-29-26(33)23-14-8-16-36-23)25(19-9-7-15-28-17-19)27(34)30-20-10-3-4-11-20/h5-9,12-17,20,25H,2-4,10-11,18H2,1H3,(H,29,33)(H,30,34)
InChIKeyPXGYEKSNRORNSW-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.64
Rot. Bonds10

About N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 648115) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID648115
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCCOc1ccccc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1
InChIInChI=1S/C27H30N4O5/c1-2-35-22-13-6-5-12-21(22)31(24(32)18-29-26(33)23-14-8-16-36-23)25(19-9-7-15-28-17-19)27(34)30-20-10-3-4-11-20/h5-9,12-17,20,25H,2-4,10-11,18H2,1H3,(H,29,33)(H,30,34)
InChIKeyPXGYEKSNRORNSW-UHFFFAOYSA-N
XLogP3.64
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide (CID 648115) is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide is CCOc1ccccc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1.
What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is PXGYEKSNRORNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-2-35-22-13-6-5-12-21(22)31(24(32)18-29-26(33)23-14-8-16-36-23)25(19-9-7-15-28-17-19)27(34)30-20-10-3-4-11-20/h5-9,12-17,20,25H,2-4,10-11,18H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 648115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).