1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide

C23H23N3O3 — CID 109046634

IUPAC1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
SMILESO=C(NCc1ccco1)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C23H23N3O3/c27-22(24-16-21-4-3-15-29-21)17-5-7-18(8-6-17)23(28)25-19-9-11-20(12-10-19)26-13-1-2-14-26/h3-12,15H,1-2,13-14,16H2,(H,24,27)(H,25,28)
InChIKeyKOJQANIMLKFGIC-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.06
Rot. Bonds6

About 1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide

1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109046634) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
PubChem CID109046634
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
SMILESO=C(NCc1ccco1)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C23H23N3O3/c27-22(24-16-21-4-3-15-29-21)17-5-7-18(8-6-17)23(28)25-19-9-11-20(12-10-19)26-13-1-2-14-26/h3-12,15H,1-2,13-14,16H2,(H,24,27)(H,25,28)
InChIKeyKOJQANIMLKFGIC-UHFFFAOYSA-N
XLogP4.06
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26243989
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109169290
1-(furan-2-ylmethyl)-3-(4-piperidin-1-ylphenyl)thiourea
CID 8626316
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046633
N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide
CID 109117643
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54843208
N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3235861
N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide
CID 28638296

Frequently Asked Questions

What is the IUPAC name of 1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide (CID 109046634) is 1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide is O=C(NCc1ccco1)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is KOJQANIMLKFGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(24-16-21-4-3-15-29-21)17-5-7-18(8-6-17)23(28)25-19-9-11-20(12-10-19)26-13-1-2-14-26/h3-12,15H,1-2,13-14,16H2,(H,24,27)(H,25,28).
What are the key properties of 1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide?
1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).