N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C25H28N4O4S — CID 3211279

IUPACN-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCCC1)c1cccnc1)c1cccs1
InChIInChI=1S/C25H28N4O4S/c30-22(16-27-24(31)21-11-6-14-34-21)29(17-20-10-5-13-33-20)23(18-7-4-12-26-15-18)25(32)28-19-8-2-1-3-9-19/h4-7,10-15,19,23H,1-3,8-9,16-17H2,(H,27,31)(H,28,32)
InChIKeyXZVFBVLOVWVYEA-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.68
Rot. Bonds9

About N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211279) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211279
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCCC1)c1cccnc1)c1cccs1
InChIInChI=1S/C25H28N4O4S/c30-22(16-27-24(31)21-11-6-14-34-21)29(17-20-10-5-13-33-20)23(18-7-4-12-26-15-18)25(32)28-19-8-2-1-3-9-19/h4-7,10-15,19,23H,1-3,8-9,16-17H2,(H,27,31)(H,28,32)
InChIKeyXZVFBVLOVWVYEA-UHFFFAOYSA-N
XLogP3.68
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 3211279) is N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCCC1)c1cccnc1)c1cccs1.
What is the InChIKey of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is XZVFBVLOVWVYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c30-22(16-27-24(31)21-11-6-14-34-21)29(17-20-10-5-13-33-20)23(18-7-4-12-26-15-18)25(32)28-19-8-2-1-3-9-19/h4-7,10-15,19,23H,1-3,8-9,16-17H2,(H,27,31)(H,28,32).
What are the key properties of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).