N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide

C23H23N3O4 — CID 1294332

IUPACN-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCC1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1
InChIInChI=1S/C23H23N3O4/c1-16-12-14-25(15-13-16)20-9-5-3-7-18(20)24-23(27)22-11-10-21(30-22)17-6-2-4-8-19(17)26(28)29/h2-11,16H,12-15H2,1H3,(H,24,27)
InChIKeyCTGFZFVMLGSCMK-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.34
Rot. Bonds5

About N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide

N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 1294332) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID1294332
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCC1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1
InChIInChI=1S/C23H23N3O4/c1-16-12-14-25(15-13-16)20-9-5-3-7-18(20)24-23(27)22-11-10-21(30-22)17-6-2-4-8-19(17)26(28)29/h2-11,16H,12-15H2,1H3,(H,24,27)
InChIKeyCTGFZFVMLGSCMK-UHFFFAOYSA-N
XLogP5.34
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-nitrophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 17111769
5-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 5144971
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1243960
N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1244911
N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 801149
5-(2-chlorophenyl)-N-(2-nitrophenyl)furan-2-carboxamide
CID 2946540
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1315583
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17319265
(E)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 17098484
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 60533512
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 2979185

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide (CID 1294332) is N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide is CC1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is CTGFZFVMLGSCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-16-12-14-25(15-13-16)20-9-5-3-7-18(20)24-23(27)22-11-10-21(30-22)17-6-2-4-8-19(17)26(28)29/h2-11,16H,12-15H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide?
N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 1294332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).