N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide

C26H28N4O4 — CID 654585

IUPACN-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCCC1)c1ccncc1)c1ccco1
InChIInChI=1S/C26H28N4O4/c31-23(18-28-25(32)22-12-7-17-34-22)30(21-10-5-2-6-11-21)24(19-13-15-27-16-14-19)26(33)29-20-8-3-1-4-9-20/h2,5-7,10-17,20,24H,1,3-4,8-9,18H2,(H,28,32)(H,29,33)
InChIKeySDSBDRMABSGERB-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.63
Rot. Bonds8

About N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 654585) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID654585
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCCC1)c1ccncc1)c1ccco1
InChIInChI=1S/C26H28N4O4/c31-23(18-28-25(32)22-12-7-17-34-22)30(21-10-5-2-6-11-21)24(19-13-15-27-16-14-19)26(33)29-20-8-3-1-4-9-20/h2,5-7,10-17,20,24H,1,3-4,8-9,18H2,(H,28,32)(H,29,33)
InChIKeySDSBDRMABSGERB-UHFFFAOYSA-N
XLogP3.63
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide (CID 654585) is N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCCC1)c1ccncc1)c1ccco1.
What is the InChIKey of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is SDSBDRMABSGERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c31-23(18-28-25(32)22-12-7-17-34-22)30(21-10-5-2-6-11-21)24(19-13-15-27-16-14-19)26(33)29-20-8-3-1-4-9-20/h2,5-7,10-17,20,24H,1,3-4,8-9,18H2,(H,28,32)(H,29,33).
What are the key properties of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 654585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).