4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide

C24H28N4O5 — CID 76807224

IUPAC4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2cc(CNC(=O)c3cc(C)c(C)o3)ccn2)o1)C(C)C
InChIInChI=1S/C24H28N4O5/c1-13(2)21(24(31)25-5)28-23(30)19-7-6-18(33-19)17-11-16(8-9-26-17)12-27-22(29)20-10-14(3)15(4)32-20/h6-11,13,21H,12H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)
InChIKeyKJSVYMKQURMSLV-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.98
Rot. Bonds8

About 4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide

4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide (PubChem CID 76807224) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide
PubChem CID76807224
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2cc(CNC(=O)c3cc(C)c(C)o3)ccn2)o1)C(C)C
InChIInChI=1S/C24H28N4O5/c1-13(2)21(24(31)25-5)28-23(30)19-7-6-18(33-19)17-11-16(8-9-26-17)12-27-22(29)20-10-14(3)15(4)32-20/h6-11,13,21H,12H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)
InChIKeyKJSVYMKQURMSLV-UHFFFAOYSA-N
XLogP2.98
TPSA126.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

4,5-dimethyl-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide
CID 58505322
6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 58505398
N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide
CID 70226757
N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 70224698
N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide
CID 46207129
1,5-dimethyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazole-3-carboxamide
CID 46207355
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide
CID 76807279
N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-4-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 87227343
3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide
CID 90738182
5-[3-[[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 70225485
2-methyl-N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)-1H-pyrazol-2-ium-5-carboxamide
CID 76807302
N-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide
CID 143976803

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide (CID 76807224) is 4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2cc(CNC(=O)c3cc(C)c(C)o3)ccn2)o1)C(C)C.
What is the InChIKey of 4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide?
The InChIKey is KJSVYMKQURMSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-13(2)21(24(31)25-5)28-23(30)19-7-6-18(33-19)17-11-16(8-9-26-17)12-27-22(29)20-10-14(3)15(4)32-20/h6-11,13,21H,12H2,1-5H3,(H,25,31)(H,27,29)(H,28,30).
What are the key properties of 4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide?
4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 76807224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).