4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide

C27H30N6O3S — CID 10885807

IUPAC4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C27H30N6O3S/c1-20-30-25-17-29-14-11-26(25)32(20)18-21-12-15-31(16-13-21)27(34)19-33(23-5-3-2-4-6-23)37(35,36)24-9-7-22(28)8-10-24/h2-11,14,17,21H,12-13,15-16,18-19,28H2,1H3
InChIKeyMOZOVXPGODUHEI-UHFFFAOYSA-N
MW518.64 g/mol
LogP3.46
Rot. Bonds7

About 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide

4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide (PubChem CID 10885807) has the molecular formula C27H30N6O3S and a molecular weight of 518.64 g/mol. Its IUPAC name is 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
PubChem CID10885807
Molecular FormulaC27H30N6O3S
Molecular Weight518.64 g/mol
Exact Mass518.21
IUPAC Name4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C27H30N6O3S/c1-20-30-25-17-29-14-11-26(25)32(20)18-21-12-15-31(16-13-21)27(34)19-33(23-5-3-2-4-6-23)37(35,36)24-9-7-22(28)8-10-24/h2-11,14,17,21H,12-13,15-16,18-19,28H2,1H3
InChIKeyMOZOVXPGODUHEI-UHFFFAOYSA-N
XLogP3.46
TPSA114.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.64
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 10620542
N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
CID 11728913
4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(1-phenylethyl)piperidine-1-carboxamide
CID 19711184
ethyl N-[1-(4-aminophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 11005105
4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 1142876
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1000027
N-(4-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1000741
CID 135484142
CID 135484142
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 2950979
2-methyl-1-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridine
CID 10847078
4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 4525809
1-[2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 2976213

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide (CID 10885807) is 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide is Cc1nc2cnccc2n1CC1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide?
The InChIKey is MOZOVXPGODUHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3S/c1-20-30-25-17-29-14-11-26(25)32(20)18-21-12-15-31(16-13-21)27(34)19-33(23-5-3-2-4-6-23)37(35,36)24-9-7-22(28)8-10-24/h2-11,14,17,21H,12-13,15-16,18-19,28H2,1H3.
What are the key properties of 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide?
4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide has a molecular weight of 518.64 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 10885807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).