3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide

C18H23N3O3 — CID 109104880

IUPAC3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cncc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C18H23N3O3/c1-3-7-21(8-4-2)18(23)15-10-14(11-19-12-15)17(22)20-13-16-6-5-9-24-16/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,20,22)
InChIKeyFRRCSQSZTORPLM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.87
Rot. Bonds8

About 3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide

3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide (PubChem CID 109104880) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
PubChem CID109104880
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cncc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C18H23N3O3/c1-3-7-21(8-4-2)18(23)15-10-14(11-19-12-15)17(22)20-13-16-6-5-9-24-16/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,20,22)
InChIKeyFRRCSQSZTORPLM-UHFFFAOYSA-N
XLogP2.87
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dipropylamino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231347
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109104838
5-(N-ethylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231367
5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104870
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104852
3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109105740
5-N-(4-ethoxyphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104924
5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104899
5-N-cyclopentyl-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102679
5-N-(4-fluorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104908
5-(furan-2-ylmethylamino)-N-propylpyridine-3-carboxamide
CID 109222782

Frequently Asked Questions

What is the IUPAC name of 3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide (CID 109104880) is 3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide is CCCN(CCC)C(=O)c1cncc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The InChIKey is FRRCSQSZTORPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-7-21(8-4-2)18(23)15-10-14(11-19-12-15)17(22)20-13-16-6-5-9-24-16/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,20,22).
What are the key properties of 3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).