N'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide

C21H21N3O3 — CID 3845207

IUPACN'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide
SMILESCc1ccc(-c2ccc(NC(=O)CCC(=O)NCc3ccccn3)cc2)o1
InChIInChI=1S/C21H21N3O3/c1-15-5-10-19(27-15)16-6-8-17(9-7-16)24-21(26)12-11-20(25)23-14-18-4-2-3-13-22-18/h2-10,13H,11-12,14H2,1H3,(H,23,25)(H,24,26)
InChIKeySWNJOJLEBGMFQZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.69
Rot. Bonds7

About N'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide

N'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide (PubChem CID 3845207) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide
PubChem CID3845207
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide
SMILESCc1ccc(-c2ccc(NC(=O)CCC(=O)NCc3ccccn3)cc2)o1
InChIInChI=1S/C21H21N3O3/c1-15-5-10-19(27-15)16-6-8-17(9-7-16)24-21(26)12-11-20(25)23-14-18-4-2-3-13-22-18/h2-10,13H,11-12,14H2,1H3,(H,23,25)(H,24,26)
InChIKeySWNJOJLEBGMFQZ-UHFFFAOYSA-N
XLogP3.69
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947514
N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 51362589
2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999289
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 110883200
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
N-(4-methylphenyl)-5-[4-oxo-4-(pyridin-2-ylmethylamino)butyl]-1,3,4-thiadiazole-2-carboxamide
CID 46320137
3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023245
3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 87039778
methyl 4-methyl-2-[[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]amino]-1,3-thiazole-5-carboxylate
CID 75465416
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214

Frequently Asked Questions

What is the IUPAC name of N'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide?
The IUPAC name of N'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide (CID 3845207) is N'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide.
What is the SMILES notation for N'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide?
The canonical SMILES for N'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide is Cc1ccc(-c2ccc(NC(=O)CCC(=O)NCc3ccccn3)cc2)o1.
What is the InChIKey of N'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide?
The InChIKey is SWNJOJLEBGMFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-5-10-19(27-15)16-6-8-17(9-7-16)24-21(26)12-11-20(25)23-14-18-4-2-3-13-22-18/h2-10,13H,11-12,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide?
N'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide has a molecular weight of 363.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide is sourced from PubChem (CID 3845207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).