2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid

C19H24N4O5 — CID 119221843

IUPAC2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)C2CCC(=O)N(C)C2c2cnn(C)c2)cc1C(=O)O
InChIInChI=1S/C19H24N4O5/c1-11-15(19(26)27)7-13(28-11)10-21(2)18(25)14-5-6-16(24)23(4)17(14)12-8-20-22(3)9-12/h7-9,14,17H,5-6,10H2,1-4H3,(H,26,27)
InChIKeyDWBUIKMWGDDMAW-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.59
Rot. Bonds5

About 2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 119221843) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
PubChem CID119221843
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)C2CCC(=O)N(C)C2c2cnn(C)c2)cc1C(=O)O
InChIInChI=1S/C19H24N4O5/c1-11-15(19(26)27)7-13(28-11)10-21(2)18(25)14-5-6-16(24)23(4)17(14)12-8-20-22(3)9-12/h7-9,14,17H,5-6,10H2,1-4H3,(H,26,27)
InChIKeyDWBUIKMWGDDMAW-UHFFFAOYSA-N
XLogP1.59
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid (CID 119221843) is 2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CN(C)C(=O)C2CCC(=O)N(C)C2c2cnn(C)c2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is DWBUIKMWGDDMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-11-15(19(26)27)7-13(28-11)10-21(2)18(25)14-5-6-16(24)23(4)17(14)12-8-20-22(3)9-12/h7-9,14,17H,5-6,10H2,1-4H3,(H,26,27).
What are the key properties of 2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 388.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119221843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).