1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide

C19H26N4O4 — CID 72914217

IUPAC1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide
SMILESCc1ccc(CN2CCC(CNC(=O)c3cc(=O)n(C)c(=O)n3C)CC2)o1
InChIInChI=1S/C19H26N4O4/c1-13-4-5-15(27-13)12-23-8-6-14(7-9-23)11-20-18(25)16-10-17(24)22(3)19(26)21(16)2/h4-5,10,14H,6-9,11-12H2,1-3H3,(H,20,25)
InChIKeyHHNZDKYBGROIHN-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.63
Rot. Bonds5

About 1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide

1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 72914217) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide
PubChem CID72914217
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide
SMILESCc1ccc(CN2CCC(CNC(=O)c3cc(=O)n(C)c(=O)n3C)CC2)o1
InChIInChI=1S/C19H26N4O4/c1-13-4-5-15(27-13)12-23-8-6-14(7-9-23)11-20-18(25)16-10-17(24)22(3)19(26)21(16)2/h4-5,10,14H,6-9,11-12H2,1-3H3,(H,20,25)
InChIKeyHHNZDKYBGROIHN-UHFFFAOYSA-N
XLogP0.63
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide (CID 72914217) is 1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide is Cc1ccc(CN2CCC(CNC(=O)c3cc(=O)n(C)c(=O)n3C)CC2)o1.
What is the InChIKey of 1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is HHNZDKYBGROIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-13-4-5-15(27-13)12-23-8-6-14(7-9-23)11-20-18(25)16-10-17(24)22(3)19(26)21(16)2/h4-5,10,14H,6-9,11-12H2,1-3H3,(H,20,25).
What are the key properties of 1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide?
1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 72914217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).