N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide

C16H17N3O2S — CID 46550282

IUPACN-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C16H17N3O2S/c1-10-9-12(6-7-14(10)18-11(2)20)19-15(21)13-5-4-8-17-16(13)22-3/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyLRVWSDLDEKSIRG-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.32
Rot. Bonds4

About N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide

N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 46550282) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID46550282
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C16H17N3O2S/c1-10-9-12(6-7-14(10)18-11(2)20)19-15(21)13-5-4-8-17-16(13)22-3/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyLRVWSDLDEKSIRG-UHFFFAOYSA-N
XLogP3.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
CID 103754215
N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 8866395
2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43171833
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 65346541
2-methylsulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 926631
N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2511417
N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 155382799
N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107358587
5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63154428
N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 155382960

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide (CID 46550282) is N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccc(NC(C)=O)c(C)c1.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is LRVWSDLDEKSIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-9-12(6-7-14(10)18-11(2)20)19-15(21)13-5-4-8-17-16(13)22-3/h4-9H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 46550282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).