N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide

C23H24N4O6 — CID 1139136

IUPACN'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide
SMILESCOc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)NCc1cccnc1
InChIInChI=1S/C23H24N4O6/c1-31-19-12-17(27-23(30)18-6-4-10-33-18)20(32-2)11-16(19)26-22(29)8-7-21(28)25-14-15-5-3-9-24-13-15/h3-6,9-13H,7-8,14H2,1-2H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyBAQSMASKFHRYTB-UHFFFAOYSA-N
MW452.47 g/mol
LogP2.98
Rot. Bonds10

About N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide

N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide (PubChem CID 1139136) has the molecular formula C23H24N4O6 and a molecular weight of 452.47 g/mol. Its IUPAC name is N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide.

Molecular Properties

Compound NameN'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide
PubChem CID1139136
Molecular FormulaC23H24N4O6
Molecular Weight452.47 g/mol
Exact Mass452.17
IUPAC NameN'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide
SMILESCOc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)NCc1cccnc1
InChIInChI=1S/C23H24N4O6/c1-31-19-12-17(27-23(30)18-6-4-10-33-18)20(32-2)11-16(19)26-22(29)8-7-21(28)25-14-15-5-3-9-24-13-15/h3-6,9-13H,7-8,14H2,1-2H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyBAQSMASKFHRYTB-UHFFFAOYSA-N
XLogP2.98
TPSA131.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide
CID 3173116
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(4-methoxyphenyl)butanediamide
CID 4999318
N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide
CID 35511874
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide
CID 3274754
N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide
CID 3169047
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071
methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate
CID 4788337
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194

Frequently Asked Questions

What is the IUPAC name of N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide?
The IUPAC name of N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide (CID 1139136) is N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide.
What is the SMILES notation for N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide?
The canonical SMILES for N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide is COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)NCc1cccnc1.
What is the InChIKey of N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide?
The InChIKey is BAQSMASKFHRYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6/c1-31-19-12-17(27-23(30)18-6-4-10-33-18)20(32-2)11-16(19)26-22(29)8-7-21(28)25-14-15-5-3-9-24-13-15/h3-6,9-13H,7-8,14H2,1-2H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide?
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide has a molecular weight of 452.47 g/mol, XLogP of 2.98, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide is sourced from PubChem (CID 1139136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).