N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide

C24H28N4O2 — CID 46375169

IUPACN-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(c2ccc(-n3cccc3)cn2)CC1
InChIInChI=1S/C24H28N4O2/c1-2-30-22-8-4-3-7-20(22)17-26-24(29)19-11-15-28(16-12-19)23-10-9-21(18-25-23)27-13-5-6-14-27/h3-10,13-14,18-19H,2,11-12,15-17H2,1H3,(H,26,29)
InChIKeyQIZQGVQBPMQJBG-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.80
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide

N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 46375169) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID46375169
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(c2ccc(-n3cccc3)cn2)CC1
InChIInChI=1S/C24H28N4O2/c1-2-30-22-8-4-3-7-20(22)17-26-24(29)19-11-15-28(16-12-19)23-10-9-21(18-25-23)27-13-5-6-14-27/h3-10,13-14,18-19H,2,11-12,15-17H2,1H3,(H,26,29)
InChIKeyQIZQGVQBPMQJBG-UHFFFAOYSA-N
XLogP3.80
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide (CID 46375169) is N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide is CCOc1ccccc1CNC(=O)C1CCN(c2ccc(-n3cccc3)cn2)CC1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is QIZQGVQBPMQJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-30-22-8-4-3-7-20(22)17-26-24(29)19-11-15-28(16-12-19)23-10-9-21(18-25-23)27-13-5-6-14-27/h3-10,13-14,18-19H,2,11-12,15-17H2,1H3,(H,26,29).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide?
N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 46375169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).