N'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

C23H24N4O4 — CID 648888

IUPACN'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccco1
InChIInChI=1S/C23H24N4O4/c28-21(26-20-10-4-5-13-24-20)11-12-23(30)27(16-18-7-2-1-3-8-18)17-22(29)25-15-19-9-6-14-31-19/h1-10,13-14H,11-12,15-17H2,(H,25,29)(H,24,26,28)
InChIKeyITGXXPPMGLNPOU-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.74
Rot. Bonds10

About N'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

N'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 648888) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID648888
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccco1
InChIInChI=1S/C23H24N4O4/c28-21(26-20-10-4-5-13-24-20)11-12-23(30)27(16-18-7-2-1-3-8-18)17-22(29)25-15-19-9-6-14-31-19/h1-10,13-14H,11-12,15-17H2,(H,25,29)(H,24,26,28)
InChIKeyITGXXPPMGLNPOU-UHFFFAOYSA-N
XLogP2.74
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.74
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, 10
CID 44520935
Triazine-4-carboxamide, 11
CID 44520936
Triazine-4-carboxamide, 12
CID 44520937
Triazine-4-carboxamide, 13
CID 44520938
Pyridyl derivative, 15
CID 44520940
N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)cyclopropanecarboxamide
CID 46866591
6-(furan-2-yl)-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719608
1-ethyl-N-(furan-2-ylmethyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 859261
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

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 648888) is N'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is O=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccco1.
What is the InChIKey of N'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is ITGXXPPMGLNPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-21(26-20-10-4-5-13-24-20)11-12-23(30)27(16-18-7-2-1-3-8-18)17-22(29)25-15-19-9-6-14-31-19/h1-10,13-14H,11-12,15-17H2,(H,25,29)(H,24,26,28).
What are the key properties of N'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 420.47 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 648888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).