N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide

C20H27N3O2 — CID 109236721

IUPACN-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1cncc(C(=O)NCCc2cccc(OC)c2)c1
InChIInChI=1S/C20H27N3O2/c1-3-4-5-10-22-18-13-17(14-21-15-18)20(24)23-11-9-16-7-6-8-19(12-16)25-2/h6-8,12-15,22H,3-5,9-11H2,1-2H3,(H,23,24)
InChIKeyVIVMDKYWXCIGLB-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.66
Rot. Bonds10

About N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide (PubChem CID 109236721) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
PubChem CID109236721
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1cncc(C(=O)NCCc2cccc(OC)c2)c1
InChIInChI=1S/C20H27N3O2/c1-3-4-5-10-22-18-13-17(14-21-15-18)20(24)23-11-9-16-7-6-8-19(12-16)25-2/h6-8,12-15,22H,3-5,9-11H2,1-2H3,(H,23,24)
InChIKeyVIVMDKYWXCIGLB-UHFFFAOYSA-N
XLogP3.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3-methoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235779
5-[2-(3-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228038
N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109236720
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109224617
N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235637
5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47041883
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232100
5-N-tert-butyl-3-N-[2-(3-methoxyphenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106409
N-(3-acetylphenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236828
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
N-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236816
N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109224372

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide (CID 109236721) is N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide is CCCCCNc1cncc(C(=O)NCCc2cccc(OC)c2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide?
The InChIKey is VIVMDKYWXCIGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-4-5-10-22-18-13-17(14-21-15-18)20(24)23-11-9-16-7-6-8-19(12-16)25-2/h6-8,12-15,22H,3-5,9-11H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109236721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).