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

C24H26N4O3S — CID 42691373

IUPACN-[(4-methoxyphenyl)methyl]-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)c3sccc3C)CC2)cc1
InChIInChI=1S/C24H26N4O3S/c1-17-9-15-32-21(17)24(30)28-13-11-27(12-14-28)22-20(4-3-10-25-22)23(29)26-16-18-5-7-19(31-2)8-6-18/h3-10,15H,11-14,16H2,1-2H3,(H,26,29)
InChIKeyQGQBPFGFCDDGJJ-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.35
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 42691373) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID42691373
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)c3sccc3C)CC2)cc1
InChIInChI=1S/C24H26N4O3S/c1-17-9-15-32-21(17)24(30)28-13-11-27(12-14-28)22-20(4-3-10-25-22)23(29)26-16-18-5-7-19(31-2)8-6-18/h3-10,15H,11-14,16H2,1-2H3,(H,26,29)
InChIKeyQGQBPFGFCDDGJJ-UHFFFAOYSA-N
XLogP3.35
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.35
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-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (CID 42691373) is N-[(4-methoxyphenyl)methyl]-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)c3sccc3C)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is QGQBPFGFCDDGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-17-9-15-32-21(17)24(30)28-13-11-27(12-14-28)22-20(4-3-10-25-22)23(29)26-16-18-5-7-19(31-2)8-6-18/h3-10,15H,11-14,16H2,1-2H3,(H,26,29).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 3.35, 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-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42691373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).