N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide

C23H22N6O4S — CID 68981244

IUPACN-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3nnn(Cc4ccc(S(C)(=O)=O)cc4)n3)ccn2)cc1
InChIInChI=1S/C23H22N6O4S/c1-33-19-7-3-16(4-8-19)14-25-23(30)21-13-18(11-12-24-21)22-26-28-29(27-22)15-17-5-9-20(10-6-17)34(2,31)32/h3-13H,14-15H2,1-2H3,(H,25,30)
InChIKeyVXFTVKFZQOVKSZ-UHFFFAOYSA-N
MW478.53 g/mol
LogP2.13
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide

N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide (PubChem CID 68981244) has the molecular formula C23H22N6O4S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide
PubChem CID68981244
Molecular FormulaC23H22N6O4S
Molecular Weight478.53 g/mol
Exact Mass478.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3nnn(Cc4ccc(S(C)(=O)=O)cc4)n3)ccn2)cc1
InChIInChI=1S/C23H22N6O4S/c1-33-19-7-3-16(4-8-19)14-25-23(30)21-13-18(11-12-24-21)22-26-28-29(27-22)15-17-5-9-20(10-6-17)34(2,31)32/h3-13H,14-15H2,1-2H3,(H,25,30)
InChIKeyVXFTVKFZQOVKSZ-UHFFFAOYSA-N
XLogP2.13
TPSA128.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide (CID 68981244) is N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cc(-c3nnn(Cc4ccc(S(C)(=O)=O)cc4)n3)ccn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide?
The InChIKey is VXFTVKFZQOVKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S/c1-33-19-7-3-16(4-8-19)14-25-23(30)21-13-18(11-12-24-21)22-26-28-29(27-22)15-17-5-9-20(10-6-17)34(2,31)32/h3-13H,14-15H2,1-2H3,(H,25,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 68981244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).