2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide

C20H21N3O4 — CID 50963154

IUPAC2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccccc1C(=O)N1[C@@H]2CC[C@H]1CNC(=O)C2
InChIInChI=1S/C20H21N3O4/c1-12-15(8-9-27-12)19(25)22-17-5-3-2-4-16(17)20(26)23-13-6-7-14(23)11-21-18(24)10-13/h2-5,8-9,13-14H,6-7,10-11H2,1H3,(H,21,24)(H,22,25)/t13-,14+/m1/s1
InChIKeyDOSFMPODESCWIR-KGLIPLIRSA-N
MW367.41 g/mol
LogP2.33
Rot. Bonds3

About 2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide

2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide (PubChem CID 50963154) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide
PubChem CID50963154
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccccc1C(=O)N1[C@@H]2CC[C@H]1CNC(=O)C2
InChIInChI=1S/C20H21N3O4/c1-12-15(8-9-27-12)19(25)22-17-5-3-2-4-16(17)20(26)23-13-6-7-14(23)11-21-18(24)10-13/h2-5,8-9,13-14H,6-7,10-11H2,1H3,(H,21,24)(H,22,25)/t13-,14+/m1/s1
InChIKeyDOSFMPODESCWIR-KGLIPLIRSA-N
XLogP2.33
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide with MolForge

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Related Compounds

2-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2225644
[2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid
CID 58664593
2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide
CID 1243990
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 131907567
N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
CID 131914476
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
(1S,6R)-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 170502843
N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide
CID 119453527
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylfuran-3-carboxamide
CID 38325558
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-3-carboxamide
CID 80554325
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-3-carboxamide
CID 114490943

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide (CID 50963154) is 2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide is Cc1occc1C(=O)Nc1ccccc1C(=O)N1[C@@H]2CC[C@H]1CNC(=O)C2.
What is the InChIKey of 2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide?
The InChIKey is DOSFMPODESCWIR-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12-15(8-9-27-12)19(25)22-17-5-3-2-4-16(17)20(26)23-13-6-7-14(23)11-21-18(24)10-13/h2-5,8-9,13-14H,6-7,10-11H2,1H3,(H,21,24)(H,22,25)/t13-,14+/m1/s1.
What are the key properties of 2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide?
2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 50963154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).