N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide

C27H30N4O2S — CID 55921400

IUPACN-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(C)C(=O)Nc3ccccc3Sc3ccccc3)CC2)nc1
InChIInChI=1S/C27H30N4O2S/c1-19-12-13-25(28-18-19)30-27(33)21-14-16-31(17-15-21)20(2)26(32)29-23-10-6-7-11-24(23)34-22-8-4-3-5-9-22/h3-13,18,20-21H,14-17H2,1-2H3,(H,29,32)(H,28,30,33)
InChIKeyRDBCCRMGKGQZFA-UHFFFAOYSA-N
MW474.63 g/mol
LogP5.22
Rot. Bonds7

About N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide

N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide (PubChem CID 55921400) has the molecular formula C27H30N4O2S and a molecular weight of 474.63 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide
PubChem CID55921400
Molecular FormulaC27H30N4O2S
Molecular Weight474.63 g/mol
Exact Mass474.21
IUPAC NameN-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(C)C(=O)Nc3ccccc3Sc3ccccc3)CC2)nc1
InChIInChI=1S/C27H30N4O2S/c1-19-12-13-25(28-18-19)30-27(33)21-14-16-31(17-15-21)20(2)26(32)29-23-10-6-7-11-24(23)34-22-8-4-3-5-9-22/h3-13,18,20-21H,14-17H2,1-2H3,(H,29,32)(H,28,30,33)
InChIKeyRDBCCRMGKGQZFA-UHFFFAOYSA-N
XLogP5.22
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

2-[4-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119924327
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47066593
N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55922300
1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921796
1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 97006508
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-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
N-(5-chloro-2-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55816065
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19534326
(2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 30632833
(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 30632840
1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 17152506

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide (CID 55921400) is N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(C)C(=O)Nc3ccccc3Sc3ccccc3)CC2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is RDBCCRMGKGQZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2S/c1-19-12-13-25(28-18-19)30-27(33)21-14-16-31(17-15-21)20(2)26(32)29-23-10-6-7-11-24(23)34-22-8-4-3-5-9-22/h3-13,18,20-21H,14-17H2,1-2H3,(H,29,32)(H,28,30,33).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide?
N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 474.63 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55921400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).