N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide

C23H26N4O2S — CID 3576785

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1N1CCN(C(CNC(=O)c2cccs2)c2cccnc2)CC1
InChIInChI=1S/C23H26N4O2S/c1-29-21-8-3-2-7-19(21)26-11-13-27(14-12-26)20(18-6-4-10-24-16-18)17-25-23(28)22-9-5-15-30-22/h2-10,15-16,20H,11-14,17H2,1H3,(H,25,28)
InChIKeyNSLFKEVJDQMADO-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.44
Rot. Bonds7

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide (PubChem CID 3576785) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide
PubChem CID3576785
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1N1CCN(C(CNC(=O)c2cccs2)c2cccnc2)CC1
InChIInChI=1S/C23H26N4O2S/c1-29-21-8-3-2-7-19(21)26-11-13-27(14-12-26)20(18-6-4-10-24-16-18)17-25-23(28)22-9-5-15-30-22/h2-10,15-16,20H,11-14,17H2,1H3,(H,25,28)
InChIKeyNSLFKEVJDQMADO-UHFFFAOYSA-N
XLogP3.44
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide (CID 3576785) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide is COc1ccccc1N1CCN(C(CNC(=O)c2cccs2)c2cccnc2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide?
The InChIKey is NSLFKEVJDQMADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-29-21-8-3-2-7-19(21)26-11-13-27(14-12-26)20(18-6-4-10-24-16-18)17-25-23(28)22-9-5-15-30-22/h2-10,15-16,20H,11-14,17H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3576785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).