N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide

C24H27ClN4O2 — CID 54546440

IUPACN-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide
SMILESCC(c1ccco1)C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)C1CCNCC1
InChIInChI=1S/C24H27ClN4O2/c1-16(21-7-4-14-31-21)23(17-10-12-26-13-11-17)28-20-6-3-2-5-19(20)24(30)29-22-9-8-18(25)15-27-22/h2-9,14-17,23,26,28H,10-13H2,1H3,(H,27,29,30)
InChIKeyZGVSMBSYBUPUTJ-UHFFFAOYSA-N
MW438.96 g/mol
LogP5.16
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide (PubChem CID 54546440) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide
PubChem CID54546440
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide
SMILESCC(c1ccco1)C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)C1CCNCC1
InChIInChI=1S/C24H27ClN4O2/c1-16(21-7-4-14-31-21)23(17-10-12-26-13-11-17)28-20-6-3-2-5-19(20)24(30)29-22-9-8-18(25)15-27-22/h2-9,14-17,23,26,28H,10-13H2,1H3,(H,27,29,30)
InChIKeyZGVSMBSYBUPUTJ-UHFFFAOYSA-N
XLogP5.16
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.96
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide (CID 54546440) is N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide is CC(c1ccco1)C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)C1CCNCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide?
The InChIKey is ZGVSMBSYBUPUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-16(21-7-4-14-31-21)23(17-10-12-26-13-11-17)28-20-6-3-2-5-19(20)24(30)29-22-9-8-18(25)15-27-22/h2-9,14-17,23,26,28H,10-13H2,1H3,(H,27,29,30).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide has a molecular weight of 438.96 g/mol, XLogP of 5.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide is sourced from PubChem (CID 54546440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).