N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide

C19H25N5O5 — CID 49447524

IUPACN-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)o1
InChIInChI=1S/C19H25N5O5/c1-11-4-5-14(29-11)17(26)21-12-6-8-24(9-7-12)10-13(25)15-16(20)22(2)19(28)23(3)18(15)27/h4-5,12H,6-10,20H2,1-3H3,(H,21,26)
InChIKeyZPZSBZIUCBGUBS-UHFFFAOYSA-N
MW403.44 g/mol
LogP-0.36
Rot. Bonds5

About N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide

N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide (PubChem CID 49447524) has the molecular formula C19H25N5O5 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
PubChem CID49447524
Molecular FormulaC19H25N5O5
Molecular Weight403.44 g/mol
Exact Mass403.19
IUPAC NameN-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)o1
InChIInChI=1S/C19H25N5O5/c1-11-4-5-14(29-11)17(26)21-12-6-8-24(9-7-12)10-13(25)15-16(20)22(2)19(28)23(3)18(15)27/h4-5,12H,6-10,20H2,1-3H3,(H,21,26)
InChIKeyZPZSBZIUCBGUBS-UHFFFAOYSA-N
XLogP-0.36
TPSA132.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447098
5-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447477
5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447313
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
CID 75464077
N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447371
5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349
N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
CID 97315817
ethyl 4-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 2458963
5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 49358828
5-(methoxymethyl)-N-(1-propylpiperidin-4-yl)furan-2-carboxamide
CID 78827546
5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 49460379
N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49446677

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide (CID 49447524) is N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NC2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)o1.
What is the InChIKey of N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The InChIKey is ZPZSBZIUCBGUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5/c1-11-4-5-14(29-11)17(26)21-12-6-8-24(9-7-12)10-13(25)15-16(20)22(2)19(28)23(3)18(15)27/h4-5,12H,6-10,20H2,1-3H3,(H,21,26).
What are the key properties of N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide has a molecular weight of 403.44 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 49447524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).