N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C22H23N3O4 — CID 31518398

IUPACN-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C22H23N3O4/c1-3-15(2)23-21(27)17-8-4-5-9-18(17)24-22(28)19-12-11-16(29-19)14-25-13-7-6-10-20(25)26/h4-13,15H,3,14H2,1-2H3,(H,23,27)(H,24,28)/t15-/m0/s1
InChIKeyNHVRINVQMHZSGP-HNNXBMFYSA-N
MW393.44 g/mol
LogP3.27
Rot. Bonds7

About N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 31518398) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
PubChem CID31518398
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C22H23N3O4/c1-3-15(2)23-21(27)17-8-4-5-9-18(17)24-22(28)19-12-11-16(29-19)14-25-13-7-6-10-20(25)26/h4-13,15H,3,14H2,1-2H3,(H,23,27)(H,24,28)/t15-/m0/s1
InChIKeyNHVRINVQMHZSGP-HNNXBMFYSA-N
XLogP3.27
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946
N-[(2S)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597949
N-[5-chloro-2-(dimethylamino)phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024505
N-(2-methylpropyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 47141529
5-[(2-oxo-1-pyridinyl)methyl]-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 60549570
N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31344363
N'-(4-ethylbenzoyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 134024433
5-[(2-oxo-1-pyridinyl)methyl]-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide
CID 31518835
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 119046569
N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024272
N-(4-ethylsulfonylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 39863132
5-[(2-oxo-1-pyridinyl)methyl]-N-quinolin-5-ylfuran-2-carboxamide
CID 86917103

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 31518398) is N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is NHVRINVQMHZSGP-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-15(2)23-21(27)17-8-4-5-9-18(17)24-22(28)19-12-11-16(29-19)14-25-13-7-6-10-20(25)26/h4-13,15H,3,14H2,1-2H3,(H,23,27)(H,24,28)/t15-/m0/s1.
What are the key properties of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 31518398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).