4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

C26H27ClN4O2 — CID 46942952

IUPAC4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)C3Cc4c(-c5ccc(Cl)cc5)ccnc4O3)cc2)CC1
InChIInChI=1S/C26H27ClN4O2/c1-30-12-14-31(15-13-30)21-8-2-18(3-9-21)17-29-25(32)24-16-23-22(10-11-28-26(23)33-24)19-4-6-20(27)7-5-19/h2-11,24H,12-17H2,1H3,(H,29,32)
InChIKeyHXDYZMOLRQBQJZ-UHFFFAOYSA-N
MW462.98 g/mol
LogP3.77
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (PubChem CID 46942952) has the molecular formula C26H27ClN4O2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
PubChem CID46942952
Molecular FormulaC26H27ClN4O2
Molecular Weight462.98 g/mol
Exact Mass462.18
IUPAC Name4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)C3Cc4c(-c5ccc(Cl)cc5)ccnc4O3)cc2)CC1
InChIInChI=1S/C26H27ClN4O2/c1-30-12-14-31(15-13-30)21-8-2-18(3-9-21)17-29-25(32)24-16-23-22(10-11-28-26(23)33-24)19-4-6-20(27)7-5-19/h2-11,24H,12-17H2,1H3,(H,29,32)
InChIKeyHXDYZMOLRQBQJZ-UHFFFAOYSA-N
XLogP3.77
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (CID 46942952) is 4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is CN1CCN(c2ccc(CNC(=O)C3Cc4c(-c5ccc(Cl)cc5)ccnc4O3)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The InChIKey is HXDYZMOLRQBQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2/c1-30-12-14-31(15-13-30)21-8-2-18(3-9-21)17-29-25(32)24-16-23-22(10-11-28-26(23)33-24)19-4-6-20(27)7-5-19/h2-11,24H,12-17H2,1H3,(H,29,32).
What are the key properties of 4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 462.98 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46942952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).