N-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide

C28H25N3O4S — CID 142392153

IUPACN-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide
SMILESCc1cc(S(C)(=O)=O)ccc1C(=O)Nc1cccc(-c2ccc(C(=O)NCc3ccccc3)cn2)c1
InChIInChI=1S/C28H25N3O4S/c1-19-15-24(36(2,34)35)12-13-25(19)28(33)31-23-10-6-9-21(16-23)26-14-11-22(18-29-26)27(32)30-17-20-7-4-3-5-8-20/h3-16,18H,17H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyBWLCPVIQXJJRPL-UHFFFAOYSA-N
MW499.59 g/mol
LogP4.64
Rot. Bonds7

About N-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide

N-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 142392153) has the molecular formula C28H25N3O4S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID142392153
Molecular FormulaC28H25N3O4S
Molecular Weight499.59 g/mol
Exact Mass499.16
IUPAC NameN-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide
SMILESCc1cc(S(C)(=O)=O)ccc1C(=O)Nc1cccc(-c2ccc(C(=O)NCc3ccccc3)cn2)c1
InChIInChI=1S/C28H25N3O4S/c1-19-15-24(36(2,34)35)12-13-25(19)28(33)31-23-10-6-9-21(16-23)26-14-11-22(18-29-26)27(32)30-17-20-7-4-3-5-8-20/h3-16,18H,17H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyBWLCPVIQXJJRPL-UHFFFAOYSA-N
XLogP4.64
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide
CID 53111039
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 24742160
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
ethyl 2-[[6-[3-(methanesulfonamido)phenyl]pyridine-3-carbonyl]amino]-5-phenylthiophene-3-carboxylate
CID 171651568
6-(3-fluorophenyl)-N-phenylpyridine-3-carboxamide
CID 53111120
6-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 5065256
4-methylsulfonyl-N-(3-pyridin-2-ylphenyl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 70797526
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide (CID 142392153) is N-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide is Cc1cc(S(C)(=O)=O)ccc1C(=O)Nc1cccc(-c2ccc(C(=O)NCc3ccccc3)cn2)c1.
What is the InChIKey of N-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is BWLCPVIQXJJRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4S/c1-19-15-24(36(2,34)35)12-13-25(19)28(33)31-23-10-6-9-21(16-23)26-14-11-22(18-29-26)27(32)30-17-20-7-4-3-5-8-20/h3-16,18H,17H2,1-2H3,(H,30,32)(H,31,33).
What are the key properties of N-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide?
N-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 499.59 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 142392153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).