N-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

C23H24N4O3S — CID 46084483

IUPACN-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C23H24N4O3S/c1-30-18-8-6-17(7-9-18)16-25-22(28)19-4-2-10-24-21(19)26-11-13-27(14-12-26)23(29)20-5-3-15-31-20/h2-10,15H,11-14,16H2,1H3,(H,25,28)
InChIKeyKEWFIPKUQPRFQM-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.04
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 46084483) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID46084483
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C23H24N4O3S/c1-30-18-8-6-17(7-9-18)16-25-22(28)19-4-2-10-24-21(19)26-11-13-27(14-12-26)23(29)20-5-3-15-31-20/h2-10,15H,11-14,16H2,1H3,(H,25,28)
InChIKeyKEWFIPKUQPRFQM-UHFFFAOYSA-N
XLogP3.04
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (CID 46084483) is N-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is KEWFIPKUQPRFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-30-18-8-6-17(7-9-18)16-25-22(28)19-4-2-10-24-21(19)26-11-13-27(14-12-26)23(29)20-5-3-15-31-20/h2-10,15H,11-14,16H2,1H3,(H,25,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46084483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).