N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C26H28N4O3 — CID 69361254

IUPACN-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)c2cccc(N)c2NC(=O)C2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C26H28N4O3/c1-33-21-10-8-18(9-11-21)25(31)22-6-4-7-23(27)24(22)29-26(32)19-12-15-30(16-13-19)17-20-5-2-3-14-28-20/h2-11,14,19H,12-13,15-17,27H2,1H3,(H,29,32)
InChIKeyZFLVJRINGJSYME-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.75
Rot. Bonds7

About N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 69361254) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID69361254
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)c2cccc(N)c2NC(=O)C2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C26H28N4O3/c1-33-21-10-8-18(9-11-21)25(31)22-6-4-7-23(27)24(22)29-26(32)19-12-15-30(16-13-19)17-20-5-2-3-14-28-20/h2-11,14,19H,12-13,15-17,27H2,1H3,(H,29,32)
InChIKeyZFLVJRINGJSYME-UHFFFAOYSA-N
XLogP3.75
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 69361254) is N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is COc1ccc(C(=O)c2cccc(N)c2NC(=O)C2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZFLVJRINGJSYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-33-21-10-8-18(9-11-21)25(31)22-6-4-7-23(27)24(22)29-26(32)19-12-15-30(16-13-19)17-20-5-2-3-14-28-20/h2-11,14,19H,12-13,15-17,27H2,1H3,(H,29,32).
What are the key properties of N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 69361254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).