N-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C24H33N3O3 — CID 24819017

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCCc1ccc(CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)nc1
InChIInChI=1S/C24H33N3O3/c1-5-18-6-8-20(25-15-18)16-26-24(28)19-7-9-22(29-4)23(14-19)30-21-10-12-27(13-11-21)17(2)3/h6-9,14-15,17,21H,5,10-13,16H2,1-4H3,(H,26,28)
InChIKeyDQWKJZAALWPBPW-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.83
Rot. Bonds8

About N-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

N-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 24819017) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID24819017
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCCc1ccc(CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)nc1
InChIInChI=1S/C24H33N3O3/c1-5-18-6-8-20(25-15-18)16-26-24(28)19-7-9-22(29-4)23(14-19)30-21-10-12-27(13-11-21)17(2)3/h6-9,14-15,17,21H,5,10-13,16H2,1-4H3,(H,26,28)
InChIKeyDQWKJZAALWPBPW-UHFFFAOYSA-N
XLogP3.83
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 24819017) is N-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is CCc1ccc(CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is DQWKJZAALWPBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-5-18-6-8-20(25-15-18)16-26-24(28)19-7-9-22(29-4)23(14-19)30-21-10-12-27(13-11-21)17(2)3/h6-9,14-15,17,21H,5,10-13,16H2,1-4H3,(H,26,28).
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
N-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 411.55 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 24819017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).