N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide

C20H27N5O2S — CID 55735754

IUPACN-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2ccc(CNC(=O)CCNC(=O)c3cccs3)cn2)CC1
InChIInChI=1S/C20H27N5O2S/c1-2-24-9-11-25(12-10-24)18-6-5-16(14-22-18)15-23-19(26)7-8-21-20(27)17-4-3-13-28-17/h3-6,13-14H,2,7-12,15H2,1H3,(H,21,27)(H,23,26)
InChIKeyCTMNBJJMLZJKFV-UHFFFAOYSA-N
MW401.54 g/mol
LogP1.72
Rot. Bonds8

About N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 55735754) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID55735754
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC NameN-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2ccc(CNC(=O)CCNC(=O)c3cccs3)cn2)CC1
InChIInChI=1S/C20H27N5O2S/c1-2-24-9-11-25(12-10-24)18-6-5-16(14-22-18)15-23-19(26)7-8-21-20(27)17-4-3-13-28-17/h3-6,13-14H,2,7-12,15H2,1H3,(H,21,27)(H,23,26)
InChIKeyCTMNBJJMLZJKFV-UHFFFAOYSA-N
XLogP1.72
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide with MolForge

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Related Compounds

3-[[benzyl(methyl)carbamoyl]amino]-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 56540050
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267
3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 55744205
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55744485
1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111259372
N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide
CID 37482217
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430632
N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide
CID 55933196
1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea
CID 86870917
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 55735627
N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42932311
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide (CID 55735754) is N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide is CCN1CCN(c2ccc(CNC(=O)CCNC(=O)c3cccs3)cn2)CC1.
What is the InChIKey of N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is CTMNBJJMLZJKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-2-24-9-11-25(12-10-24)18-6-5-16(14-22-18)15-23-19(26)7-8-21-20(27)17-4-3-13-28-17/h3-6,13-14H,2,7-12,15H2,1H3,(H,21,27)(H,23,26).
What are the key properties of N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 401.54 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 55735754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).