N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide

C18H22N4O2S — CID 25453222

IUPACN-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide
SMILESCC(=O)N1CCN(c2ncccc2CNC(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C18H22N4O2S/c1-13-5-6-16(25-13)18(24)20-12-15-4-3-7-19-17(15)22-10-8-21(9-11-22)14(2)23/h3-7H,8-12H2,1-2H3,(H,20,24)
InChIKeyHFLLRYGUOPNASP-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.05
Rot. Bonds4

About N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide

N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 25453222) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID25453222
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide
SMILESCC(=O)N1CCN(c2ncccc2CNC(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C18H22N4O2S/c1-13-5-6-16(25-13)18(24)20-12-15-4-3-7-19-17(15)22-10-8-21(9-11-22)14(2)23/h3-7H,8-12H2,1-2H3,(H,20,24)
InChIKeyHFLLRYGUOPNASP-UHFFFAOYSA-N
XLogP2.05
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42567102
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 42461962
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56705354
5-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 27839113
2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrazol-1-ylbutanamide
CID 56752725
1-[4-[3-[(1-benzothiophen-2-ylmethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 26403529
5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 38535025
2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
CID 71876650
2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
CID 56745164
4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56756917
5-methyl-N-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 18146017

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide (CID 25453222) is N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide is CC(=O)N1CCN(c2ncccc2CNC(=O)c2ccc(C)s2)CC1.
What is the InChIKey of N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is HFLLRYGUOPNASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13-5-6-16(25-13)18(24)20-12-15-4-3-7-19-17(15)22-10-8-21(9-11-22)14(2)23/h3-7H,8-12H2,1-2H3,(H,20,24).
What are the key properties of N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide?
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 25453222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).