N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide

C20H26N2OS — CID 16563602

IUPACN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC(c1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C20H26N2OS/c1-13(2)15-8-10-16(11-9-15)18(14(3)4)22-19(23)17-7-6-12-21-20(17)24-5/h6-14,18H,1-5H3,(H,22,23)
InChIKeyOAJIKPRXCLBICG-UHFFFAOYSA-N
MW342.51 g/mol
LogP5.05
Rot. Bonds6

About N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide

N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 16563602) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID16563602
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC NameN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC(c1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C20H26N2OS/c1-13(2)15-8-10-16(11-9-15)18(14(3)4)22-19(23)17-7-6-12-21-20(17)24-5/h6-14,18H,1-5H3,(H,22,23)
InChIKeyOAJIKPRXCLBICG-UHFFFAOYSA-N
XLogP5.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide
CID 60600746
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180
2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 25486041
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 98296051
2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 99927418
2-ethoxy-N-[1-(4-ethylphenyl)-2-methylpropyl]pyridine-3-carboxamide
CID 18289216
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 17328691
2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide
CID 171108763
4-methylsulfanyl-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]butanoic acid
CID 2778555

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide (CID 16563602) is N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NC(c1ccc(C(C)C)cc1)C(C)C.
What is the InChIKey of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is OAJIKPRXCLBICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-13(2)15-8-10-16(11-9-15)18(14(3)4)22-19(23)17-7-6-12-21-20(17)24-5/h6-14,18H,1-5H3,(H,22,23).
What are the key properties of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 342.51 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 16563602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).