N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

C22H28N4O2S — CID 55922300

IUPACN-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCSc1ccccc1NC(=O)C(C)N1CCC(C(=O)Nc2cc(C)ccn2)CC1
InChIInChI=1S/C22H28N4O2S/c1-15-8-11-23-20(14-15)25-22(28)17-9-12-26(13-10-17)16(2)21(27)24-18-6-4-5-7-19(18)29-3/h4-8,11,14,16-17H,9-10,12-13H2,1-3H3,(H,24,27)(H,23,25,28)
InChIKeyYDZSOJYFNMWJJK-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.79
Rot. Bonds6

About N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 55922300) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID55922300
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC NameN-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCSc1ccccc1NC(=O)C(C)N1CCC(C(=O)Nc2cc(C)ccn2)CC1
InChIInChI=1S/C22H28N4O2S/c1-15-8-11-23-20(14-15)25-22(28)17-9-12-26(13-10-17)16(2)21(27)24-18-6-4-5-7-19(18)29-3/h4-8,11,14,16-17H,9-10,12-13H2,1-3H3,(H,24,27)(H,23,25,28)
InChIKeyYDZSOJYFNMWJJK-UHFFFAOYSA-N
XLogP3.79
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide
CID 55921400
N-benzyl-1-[(2R)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 27106897
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816261
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017
N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide
CID 51961356
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
N-(5-chloro-2-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55816065
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2315676
N-(4-methyl-2-pyridinyl)-1-(3-phenylfuran-2-carbonyl)piperidine-4-carboxamide
CID 55812819
1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 30795732
1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 17487362

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 55922300) is N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is CSc1ccccc1NC(=O)C(C)N1CCC(C(=O)Nc2cc(C)ccn2)CC1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is YDZSOJYFNMWJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-15-8-11-23-20(14-15)25-22(28)17-9-12-26(13-10-17)16(2)21(27)24-18-6-4-5-7-19(18)29-3/h4-8,11,14,16-17H,9-10,12-13H2,1-3H3,(H,24,27)(H,23,25,28).
What are the key properties of N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55922300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).