N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide

C14H13N3O3S — CID 60567323

IUPACN-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide
SMILESCSc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccn1
InChIInChI=1S/C14H13N3O3S/c1-9-3-4-11(8-12(9)17(19)20)16-14(18)10-5-6-15-13(7-10)21-2/h3-8H,1-2H3,(H,16,18)
InChIKeyYORWFPWHUQPDBP-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.27
Rot. Bonds4

About N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide

N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide (PubChem CID 60567323) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide
PubChem CID60567323
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide
SMILESCSc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccn1
InChIInChI=1S/C14H13N3O3S/c1-9-3-4-11(8-12(9)17(19)20)16-14(18)10-5-6-15-13(7-10)21-2/h3-8H,1-2H3,(H,16,18)
InChIKeyYORWFPWHUQPDBP-UHFFFAOYSA-N
XLogP3.27
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525884
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
N-(4-methyl-3-nitrophenyl)-3-sulfanylbenzamide
CID 107021737
4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide
CID 62238018
3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265881
N-(6-ethylsulfanyl-3-pyridinyl)-4-methyl-3-nitrobenzamide
CID 47085170
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide
CID 22057965
N-(4-methyl-3-nitrophenyl)quinoline-4-carboxamide
CID 134008354
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 779436

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide (CID 60567323) is N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide is CSc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccn1.
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide?
The InChIKey is YORWFPWHUQPDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-9-3-4-11(8-12(9)17(19)20)16-14(18)10-5-6-15-13(7-10)21-2/h3-8H,1-2H3,(H,16,18).
What are the key properties of N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide?
N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide is sourced from PubChem (CID 60567323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).