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

C25H28N4O4S — CID 3211832

IUPACN-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(Cc1cccs1)C(C(=O)NC1CCCCC1)c1ccncc1)c1ccco1
InChIInChI=1S/C25H28N4O4S/c30-22(16-27-24(31)21-9-4-14-33-21)29(17-20-8-5-15-34-20)23(18-10-12-26-13-11-18)25(32)28-19-6-2-1-3-7-19/h4-5,8-15,19,23H,1-3,6-7,16-17H2,(H,27,31)(H,28,32)
InChIKeyRSSDXTODDVPBRN-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.68
Rot. Bonds9

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

N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211832) 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-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID3211832
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(Cc1cccs1)C(C(=O)NC1CCCCC1)c1ccncc1)c1ccco1
InChIInChI=1S/C25H28N4O4S/c30-22(16-27-24(31)21-9-4-14-33-21)29(17-20-8-5-15-34-20)23(18-10-12-26-13-11-18)25(32)28-19-6-2-1-3-7-19/h4-5,8-15,19,23H,1-3,6-7,16-17H2,(H,27,31)(H,28,32)
InChIKeyRSSDXTODDVPBRN-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

Analyze N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
2-(2-Furoylamino)-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1033230
Furan-2-carboxylic acid {[(tert-butylcarbamoyl-pyridin-4-yl-methyl)-(2-ethoxy-phenyl)-carbamoyl]-methyl}-amide
CID 644391
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-amide
CID 645184
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-(3-methoxy-phenyl)-carbamoyl]-methyl}-amide
CID 645399
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-(2-ethoxy-phenyl)-carbamoyl]-methyl}-amide
CID 648115
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-furan-2-yl-methyl)-pyridin-3-yl-carbamoyl]-methyl}-amide
CID 649544
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-phenethyl-carbamoyl]-methyl}-amide
CID 650641
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-(3-methoxy-phenyl)-carbamoyl]-methyl}-amide
CID 651891
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-phenyl-carbamoyl]-methyl}-amide
CID 654585
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-m-tolyl-carbamoyl]-methyl}-amide
CID 655816

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 3211832) is N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(Cc1cccs1)C(C(=O)NC1CCCCC1)c1ccncc1)c1ccco1.
What is the InChIKey of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is RSSDXTODDVPBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c30-22(16-27-24(31)21-9-4-14-33-21)29(17-20-8-5-15-34-20)23(18-10-12-26-13-11-18)25(32)28-19-6-2-1-3-7-19/h4-5,8-15,19,23H,1-3,6-7,16-17H2,(H,27,31)(H,28,32).
What are the key properties of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-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-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).