methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate

C20H21N3O4 — CID 119073100

IUPACmethyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(C(=O)NC3CCC(=O)N(C)C3)c2)nc1
InChIInChI=1S/C20H21N3O4/c1-23-12-16(7-9-18(23)24)22-19(25)14-5-3-4-13(10-14)17-8-6-15(11-21-17)20(26)27-2/h3-6,8,10-11,16H,7,9,12H2,1-2H3,(H,22,25)
InChIKeyOHXDYAKAQBBGCT-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.89
Rot. Bonds4

About methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate

methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate (PubChem CID 119073100) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate
PubChem CID119073100
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namemethyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(C(=O)NC3CCC(=O)N(C)C3)c2)nc1
InChIInChI=1S/C20H21N3O4/c1-23-12-16(7-9-18(23)24)22-19(25)14-5-3-4-13(10-14)17-8-6-15(11-21-17)20(26)27-2/h3-6,8,10-11,16H,7,9,12H2,1-2H3,(H,22,25)
InChIKeyOHXDYAKAQBBGCT-UHFFFAOYSA-N
XLogP1.89
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate (CID 119073100) is methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2cccc(C(=O)NC3CCC(=O)N(C)C3)c2)nc1.
What is the InChIKey of methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate?
The InChIKey is OHXDYAKAQBBGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-23-12-16(7-9-18(23)24)22-19(25)14-5-3-4-13(10-14)17-8-6-15(11-21-17)20(26)27-2/h3-6,8,10-11,16H,7,9,12H2,1-2H3,(H,22,25).
What are the key properties of methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate?
methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 119073100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).