N'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

C23H23FN4O4 — CID 653732

IUPACN'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccco1
InChIInChI=1S/C23H23FN4O4/c24-18-8-6-17(7-9-18)15-28(16-22(30)26-14-19-4-3-13-32-19)23(31)11-10-21(29)27-20-5-1-2-12-25-20/h1-9,12-13H,10-11,14-16H2,(H,26,30)(H,25,27,29)
InChIKeyTWJICNJVYDAEPO-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.88
Rot. Bonds10

About N'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

N'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 653732) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID653732
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC NameN'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccco1
InChIInChI=1S/C23H23FN4O4/c24-18-8-6-17(7-9-18)15-28(16-22(30)26-14-19-4-3-13-32-19)23(31)11-10-21(29)27-20-5-1-2-12-25-20/h1-9,12-13H,10-11,14-16H2,(H,26,30)(H,25,27,29)
InChIKeyTWJICNJVYDAEPO-UHFFFAOYSA-N
XLogP2.88
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)acetamide
CID 46880333
Triazine-4-carboxamide, 11
CID 44520936
Triazine-4-carboxamide, 12
CID 44520937
Triazine-4-carboxamide, 13
CID 44520938
Pyridyl derivative, 15
CID 44520940
N-[5-(3-fluoro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 46866593
N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
CID 970504
Furan-2-carboxylic acid [6-(2-methoxy-benzoylamino)-pyridin-3-yl]-amide
CID 1449289
Furan-2-carboxylic acid (6-butyrylamino-4-methyl-pyridin-3-yl)-amide
CID 1452773
Furan-2-carboxylic acid [5-(2-fluoro-benzoylamino)-pyridin-2-yl]-amide
CID 1452813
Furan-2-carboxylic acid [5-(3-fluoro-benzoylamino)-pyridin-2-yl]-amide
CID 1452814
2-[4-(2-Furylcarbonyl)piperazino]nicotinonitrile
CID 2812129

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 653732) is N'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is O=C(CN(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccco1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is TWJICNJVYDAEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c24-18-8-6-17(7-9-18)15-28(16-22(30)26-14-19-4-3-13-32-19)23(31)11-10-21(29)27-20-5-1-2-12-25-20/h1-9,12-13H,10-11,14-16H2,(H,26,30)(H,25,27,29).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 438.46 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 653732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).