5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

C20H21N3O3 — CID 109231482

IUPAC5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cncc(NCc3ccco3)c2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-18-6-4-15(5-7-18)8-9-22-20(24)16-11-17(13-21-12-16)23-14-19-3-2-10-26-19/h2-7,10-13,23H,8-9,14H2,1H3,(H,22,24)
InChIKeyBVGGPQHMQAZLEA-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.27
Rot. Bonds8

About 5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109231482) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID109231482
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cncc(NCc3ccco3)c2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-18-6-4-15(5-7-18)8-9-22-20(24)16-11-17(13-21-12-16)23-14-19-3-2-10-26-19/h2-7,10-13,23H,8-9,14H2,1H3,(H,22,24)
InChIKeyBVGGPQHMQAZLEA-UHFFFAOYSA-N
XLogP3.27
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-ylmethylamino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227645
2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109255066
5-(furan-2-ylmethylamino)-N-propylpyridine-3-carboxamide
CID 109222782
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857
N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109227669
N-[2-(2-fluorophenyl)ethyl]-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236233
5-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231563
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109279490
5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109231475
6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109097100
N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109224372
N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109231335

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 109231482) is 5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cncc(NCc3ccco3)c2)cc1.
What is the InChIKey of 5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is BVGGPQHMQAZLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-18-6-4-15(5-7-18)8-9-22-20(24)16-11-17(13-21-12-16)23-14-19-3-2-10-26-19/h2-7,10-13,23H,8-9,14H2,1H3,(H,22,24).
What are the key properties of 5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109231482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).