N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide

C24H22N4O3S — CID 44581269

IUPACN-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccccn2)cn1
InChIInChI=1S/C24H22N4O3S/c1-18-7-3-4-8-22(18)19-10-11-20(26-15-19)17-28(21-12-13-23(31-2)27-16-21)32(29,30)24-9-5-6-14-25-24/h3-16H,17H2,1-2H3
InChIKeyKGMAJNOKXWYORJ-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.25
Rot. Bonds7

About N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide

N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide (PubChem CID 44581269) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide
PubChem CID44581269
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccccn2)cn1
InChIInChI=1S/C24H22N4O3S/c1-18-7-3-4-8-22(18)19-10-11-20(26-15-19)17-28(21-12-13-23(31-2)27-16-21)32(29,30)24-9-5-6-14-25-24/h3-16H,17H2,1-2H3
InChIKeyKGMAJNOKXWYORJ-UHFFFAOYSA-N
XLogP4.25
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-Ethyl-2-[(6-methoxy-3-pyridinyl)[(2-methylphenyl)sulfonyl]amino]-N-(3-pyridinylmethyl)acetamide
CID 9981404
[3H]Empa
CID 42604859
1H-Imidazole-4-sulfonamide, N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-
CID 25212177
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide
CID 164614423
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-[[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methyl]phenyl]-3-pyridinyl]pyridine-3-sulfonamide
CID 164615907
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]-3-pyridinyl]pyridine-3-sulfonamide
CID 164620413
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(piperazin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide
CID 164625094
1-(4-methoxy-benzenesulfonyl)-7-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 50940070
1-(4-Methoxyphenyl)sulfonyl-7-pyridin-4-ylpyrrolo[2,3-c]pyridine
CID 50940181
1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-2-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
CID 67084105
4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide
CID 118873471
N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide
CID 25212178

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide (CID 44581269) is N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide is COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccccn2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide?
The InChIKey is KGMAJNOKXWYORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-18-7-3-4-8-22(18)19-10-11-20(26-15-19)17-28(21-12-13-23(31-2)27-16-21)32(29,30)24-9-5-6-14-25-24/h3-16H,17H2,1-2H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide?
N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide has a molecular weight of 446.53 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 44581269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).