N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide

C22H26N4O2S — CID 3561847

IUPACN-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1sc(NC(=O)c2ccco2)c(C(c2cccnc2)N2CCN(C)CC2)c1C
InChIInChI=1S/C22H26N4O2S/c1-15-16(2)29-22(24-21(27)18-7-5-13-28-18)19(15)20(17-6-4-8-23-14-17)26-11-9-25(3)10-12-26/h4-8,13-14,20H,9-12H2,1-3H3,(H,24,27)
InChIKeyAFPNZEVXFINEEQ-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.94
Rot. Bonds5

About N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide

N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 3561847) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID3561847
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1sc(NC(=O)c2ccco2)c(C(c2cccnc2)N2CCN(C)CC2)c1C
InChIInChI=1S/C22H26N4O2S/c1-15-16(2)29-22(24-21(27)18-7-5-13-28-18)19(15)20(17-6-4-8-23-14-17)26-11-9-25(3)10-12-26/h4-8,13-14,20H,9-12H2,1-3H3,(H,24,27)
InChIKeyAFPNZEVXFINEEQ-UHFFFAOYSA-N
XLogP3.94
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
2-(2-Furoylamino)-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1033230
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 44634770
2-[4-(2-Furoyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5p)
CID 73443011
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-phenethyl-carbamoyl]-methyl}-amide
CID 650641
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
Furan-2-carboxylic acid (cyclopentylcarbamoyl-pyridin-4-yl-methyl)-(4-isopropyl-phenyl)-amide
CID 3196547
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211119
fur-2-oyl-Gly-DL-N(pyrid-3-yl)Gly(thien-2-yl)-NHcPent
CID 3211413
Furan-2-carboxylic acid {[benzyl-(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-carbamoyl]-methyl}-amide
CID 3211606
Furan-2-carboxylic acid {[benzyl-(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-carbamoyl]-methyl}-amide
CID 3211636

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide (CID 3561847) is N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide is Cc1sc(NC(=O)c2ccco2)c(C(c2cccnc2)N2CCN(C)CC2)c1C.
What is the InChIKey of N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is AFPNZEVXFINEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-15-16(2)29-22(24-21(27)18-7-5-13-28-18)19(15)20(17-6-4-8-23-14-17)26-11-9-25(3)10-12-26/h4-8,13-14,20H,9-12H2,1-3H3,(H,24,27).
What are the key properties of N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 3561847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).