N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

C20H25N5O4 — CID 108740727

IUPACN-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1C(N)=O
InChIInChI=1S/C20H25N5O4/c1-10-9-11(2)23-20(22-10)25-7-5-14(6-8-25)18(28)24-19-16(17(21)27)15(12(3)26)13(4)29-19/h9,14H,5-8H2,1-4H3,(H2,21,27)(H,24,28)
InChIKeyNFBRYKCZDZAVJH-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.15
Rot. Bonds5

About N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 108740727) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID108740727
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC NameN-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1C(N)=O
InChIInChI=1S/C20H25N5O4/c1-10-9-11(2)23-20(22-10)25-7-5-14(6-8-25)18(28)24-19-16(17(21)27)15(12(3)26)13(4)29-19/h9,14H,5-8H2,1-4H3,(H2,21,27)(H,24,28)
InChIKeyNFBRYKCZDZAVJH-UHFFFAOYSA-N
XLogP2.15
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
N-(2-amino-2-oxoethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223325
ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate
CID 108733749
ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate
CID 108741022
2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid
CID 108805793
N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108805686
1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 653435
1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 71703610
1-(4,6-dimethylpyrimidin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 7435402
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108793991
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 108805731
N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 648454

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 108740727) is N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is CC(=O)c1c(C)oc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1C(N)=O.
What is the InChIKey of N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is NFBRYKCZDZAVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-10-9-11(2)23-20(22-10)25-7-5-14(6-8-25)18(28)24-19-16(17(21)27)15(12(3)26)13(4)29-19/h9,14H,5-8H2,1-4H3,(H2,21,27)(H,24,28).
What are the key properties of N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 108740727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).