2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide

C26H30N4O2 — CID 117086090

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccnc(NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C26H30N4O2/c31-26(28-15-18-32-24-9-5-2-6-10-24)22-11-14-27-25(19-22)29-23-12-16-30(17-13-23)20-21-7-3-1-4-8-21/h1-11,14,19,23H,12-13,15-18,20H2,(H,27,29)(H,28,31)
InChIKeyJBSJIRABEIHGLQ-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.97
Rot. Bonds9

About 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide

2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide (PubChem CID 117086090) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide
PubChem CID117086090
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccnc(NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C26H30N4O2/c31-26(28-15-18-32-24-9-5-2-6-10-24)22-11-14-27-25(19-22)29-23-12-16-30(17-13-23)20-21-7-3-1-4-8-21/h1-11,14,19,23H,12-13,15-18,20H2,(H,27,29)(H,28,31)
InChIKeyJBSJIRABEIHGLQ-UHFFFAOYSA-N
XLogP3.97
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide
CID 117094608
2-[(1-benzylpiperidin-4-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117093231
2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174903
2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109166348
2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109165237
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166760
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
2-(1,3-benzodioxol-5-ylmethylamino)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
CID 117082360
ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045
N-[2-(3-chlorophenyl)ethyl]-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166354
benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 59074849

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide (CID 117086090) is 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide is O=C(NCCOc1ccccc1)c1ccnc(NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide?
The InChIKey is JBSJIRABEIHGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c31-26(28-15-18-32-24-9-5-2-6-10-24)22-11-14-27-25(19-22)29-23-12-16-30(17-13-23)20-21-7-3-1-4-8-21/h1-11,14,19,23H,12-13,15-18,20H2,(H,27,29)(H,28,31).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide?
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 117086090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).