4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide

C21H21N5O4 — CID 108740715

IUPAC4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c1C(N)=O
InChIInChI=1S/C21H21N5O4/c1-10-8-11(2)24-21(23-10)25-15-7-5-6-14(9-15)19(29)26-20-17(18(22)28)16(12(3)27)13(4)30-20/h5-9H,1-4H3,(H2,22,28)(H,26,29)(H,23,24,25)
InChIKeyVWTYVJOWDGNRHJ-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.29
Rot. Bonds6

About 4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide

4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide (PubChem CID 108740715) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide
PubChem CID108740715
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c1C(N)=O
InChIInChI=1S/C21H21N5O4/c1-10-8-11(2)24-21(23-10)25-15-7-5-6-14(9-15)19(29)26-20-17(18(22)28)16(12(3)27)13(4)30-20/h5-9H,1-4H3,(H2,22,28)(H,26,29)(H,23,24,25)
InChIKeyVWTYVJOWDGNRHJ-UHFFFAOYSA-N
XLogP3.29
TPSA140.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide with MolForge

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Related Compounds

4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide
CID 108740607
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide
CID 108792603
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide
CID 71700893
4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763234
4-acetyl-5-methyl-2-(naphthalene-1-carbonylamino)furan-3-carboxamide
CID 108763362
4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide
CID 108740756
ethyl 2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]benzoate
CID 108792456
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 108804701
3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]benzamide
CID 108765874
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
CID 108804643
ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108740989

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide?
The IUPAC name of 4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide (CID 108740715) is 4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide.
What is the SMILES notation for 4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide?
The canonical SMILES for 4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide is CC(=O)c1c(C)oc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c1C(N)=O.
What is the InChIKey of 4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide?
The InChIKey is VWTYVJOWDGNRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-10-8-11(2)24-21(23-10)25-15-7-5-6-14(9-15)19(29)26-20-17(18(22)28)16(12(3)27)13(4)30-20/h5-9H,1-4H3,(H2,22,28)(H,26,29)(H,23,24,25).
What are the key properties of 4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide?
4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 108740715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).