N-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide

C26H23N4O2+ — CID 4753622

IUPACN-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
SMILESCc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)Nc2cccc(C)[nH+]2)n1
InChIInChI=1S/C26H22N4O2/c1-17-9-7-15-23(27-17)29-25(31)21-13-5-3-11-19(21)20-12-4-6-14-22(20)26(32)30-24-16-8-10-18(2)28-24/h3-16H,1-2H3,(H,27,29,31)(H,28,30,32)/p+1
InChIKeyLYRUFIDCQDWYMM-UHFFFAOYSA-O
MW423.50 g/mol
LogP4.68
Rot. Bonds5

About N-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide

N-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide (PubChem CID 4753622) has the molecular formula C26H23N4O2+ and a molecular weight of 423.50 g/mol. Its IUPAC name is N-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
PubChem CID4753622
Molecular FormulaC26H23N4O2+
Molecular Weight423.50 g/mol
Exact Mass423.18
IUPAC NameN-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
SMILESCc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)Nc2cccc(C)[nH+]2)n1
InChIInChI=1S/C26H22N4O2/c1-17-9-7-15-23(27-17)29-25(31)21-13-5-3-11-19(21)20-12-4-6-14-22(20)26(32)30-24-16-8-10-18(2)28-24/h3-16H,1-2H3,(H,27,29,31)(H,28,30,32)/p+1
InChIKeyLYRUFIDCQDWYMM-UHFFFAOYSA-O
XLogP4.68
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
The IUPAC name of N-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide (CID 4753622) is N-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for N-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide is Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)Nc2cccc(C)[nH+]2)n1.
What is the InChIKey of N-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
The InChIKey is LYRUFIDCQDWYMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H22N4O2/c1-17-9-7-15-23(27-17)29-25(31)21-13-5-3-11-19(21)20-12-4-6-14-22(20)26(32)30-24-16-8-10-18(2)28-24/h3-16H,1-2H3,(H,27,29,31)(H,28,30,32)/p+1.
What are the key properties of N-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
N-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide has a molecular weight of 423.50 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 4753622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).