N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide

C23H18N2OS — CID 102531877

IUPACN-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide
SMILESCc1ccccc1Sc1cccc2cccc(NC(=O)c3ccccn3)c12
InChIInChI=1S/C23H18N2OS/c1-16-8-2-3-13-20(16)27-21-14-7-10-17-9-6-12-18(22(17)21)25-23(26)19-11-4-5-15-24-19/h2-15H,1H3,(H,25,26)
InChIKeySILRHMRLHLRSLW-UHFFFAOYSA-N
MW370.48 g/mol
LogP5.95
Rot. Bonds4

About N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide

N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide (PubChem CID 102531877) has the molecular formula C23H18N2OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide
PubChem CID102531877
Molecular FormulaC23H18N2OS
Molecular Weight370.48 g/mol
Exact Mass370.11
IUPAC NameN-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide
SMILESCc1ccccc1Sc1cccc2cccc(NC(=O)c3ccccn3)c12
InChIInChI=1S/C23H18N2OS/c1-16-8-2-3-13-20(16)27-21-14-7-10-17-9-6-12-18(22(17)21)25-23(26)19-11-4-5-15-24-19/h2-15H,1H3,(H,25,26)
InChIKeySILRHMRLHLRSLW-UHFFFAOYSA-N
XLogP5.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
CID 72714120
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 103909689
ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate
CID 71659694
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide
CID 102531882
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide
CID 55037245
N-(3-acetyl-2-hydroxyphenyl)pyridine-2-carboxamide
CID 68621080
N-[2-(4-methylanilino)phenyl]pyridine-2-carboxamide
CID 108745005
N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
CID 139242174
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811

Frequently Asked Questions

What is the IUPAC name of N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide (CID 102531877) is N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide is Cc1ccccc1Sc1cccc2cccc(NC(=O)c3ccccn3)c12.
What is the InChIKey of N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide?
The InChIKey is SILRHMRLHLRSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2OS/c1-16-8-2-3-13-20(16)27-21-14-7-10-17-9-6-12-18(22(17)21)25-23(26)19-11-4-5-15-24-19/h2-15H,1H3,(H,25,26).
What are the key properties of N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide?
N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 102531877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).