N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide

C25H28N4O4 — CID 655291

IUPACN'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
SMILESCc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCCc2ccccc2)Cc2ccco2)c1
InChIInChI=1S/C25H28N4O4/c1-19-11-13-26-22(16-19)28-23(30)9-10-25(32)29(17-21-8-5-15-33-21)18-24(31)27-14-12-20-6-3-2-4-7-20/h2-8,11,13,15-16H,9-10,12,14,17-18H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyNJGBPKGHWHJMCW-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.09
Rot. Bonds11

About N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide

N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide (PubChem CID 655291) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
PubChem CID655291
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
SMILESCc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCCc2ccccc2)Cc2ccco2)c1
InChIInChI=1S/C25H28N4O4/c1-19-11-13-26-22(16-19)28-23(30)9-10-25(32)29(17-21-8-5-15-33-21)18-24(31)27-14-12-20-6-3-2-4-7-20/h2-8,11,13,15-16H,9-10,12,14,17-18H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyNJGBPKGHWHJMCW-UHFFFAOYSA-N
XLogP3.09
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide with MolForge

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Related Compounds

Mirfentanil
CID 60698
N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)acetamide
CID 46880333
Triazine-4-carboxamide, 11
CID 44520936
Triazine-4-carboxamide, 12
CID 44520937
Triazine-4-carboxamide, 13
CID 44520938
Pyridyl derivative, 15
CID 44520940
N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)cyclopropanecarboxamide
CID 46866591
6-(furan-2-yl)-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719608
1-ethyl-N-(furan-2-ylmethyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 859261
N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
CID 970504
Furan-2-carboxylic acid [6-(2-methoxy-benzoylamino)-pyridin-3-yl]-amide
CID 1449289
Furan-2-carboxylic acid (6-butyrylamino-4-methyl-pyridin-3-yl)-amide
CID 1452773

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide?
The IUPAC name of N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide (CID 655291) is N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide?
The canonical SMILES for N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide is Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCCc2ccccc2)Cc2ccco2)c1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide?
The InChIKey is NJGBPKGHWHJMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-19-11-13-26-22(16-19)28-23(30)9-10-25(32)29(17-21-8-5-15-33-21)18-24(31)27-14-12-20-6-3-2-4-7-20/h2-8,11,13,15-16H,9-10,12,14,17-18H2,1H3,(H,27,31)(H,26,28,30).
What are the key properties of N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide?
N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide has a molecular weight of 448.52 g/mol, XLogP of 3.09, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide is sourced from PubChem (CID 655291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).