N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

C28H29N5O4 — CID 55581962

IUPACN-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C28H29N5O4/c1-2-36-25-16-20(10-12-24(25)37-18-27(34)32-14-6-3-7-15-32)28(35)31-21-11-13-26(29-17-21)33-19-30-22-8-4-5-9-23(22)33/h4-5,8-13,16-17,19H,2-3,6-7,14-15,18H2,1H3,(H,31,35)
InChIKeyXTWWVSKGPUDCAE-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.46
Rot. Bonds8

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (PubChem CID 55581962) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
PubChem CID55581962
Molecular FormulaC28H29N5O4
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C28H29N5O4/c1-2-36-25-16-20(10-12-24(25)37-18-27(34)32-14-6-3-7-15-32)28(35)31-21-11-13-26(29-17-21)33-19-30-22-8-4-5-9-23(22)33/h4-5,8-13,16-17,19H,2-3,6-7,14-15,18H2,1H3,(H,31,35)
InChIKeyXTWWVSKGPUDCAE-UHFFFAOYSA-N
XLogP4.46
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (CID 55581962) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is CCOc1cc(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The InChIKey is XTWWVSKGPUDCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4/c1-2-36-25-16-20(10-12-24(25)37-18-27(34)32-14-6-3-7-15-32)28(35)31-21-11-13-26(29-17-21)33-19-30-22-8-4-5-9-23(22)33/h4-5,8-13,16-17,19H,2-3,6-7,14-15,18H2,1H3,(H,31,35).
What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide has a molecular weight of 499.57 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 55581962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).