2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

C21H29N5O4S — CID 92640464

IUPAC2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C2CCN(S(=O)(=O)N(C)C)CC2)nc1N
InChIInChI=1S/C21H29N5O4S/c1-25(2)31(28,29)26-12-10-15(11-13-26)18-9-8-17(20(22)24-18)21(27)23-14-16-6-4-5-7-19(16)30-3/h4-9,15H,10-14H2,1-3H3,(H2,22,24)(H,23,27)
InChIKeyVIDIDJAHJNPICC-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.59
Rot. Bonds7

About 2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 92640464) has the molecular formula C21H29N5O4S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID92640464
Molecular FormulaC21H29N5O4S
Molecular Weight447.56 g/mol
Exact Mass447.19
IUPAC Name2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C2CCN(S(=O)(=O)N(C)C)CC2)nc1N
InChIInChI=1S/C21H29N5O4S/c1-25(2)31(28,29)26-12-10-15(11-13-26)18-9-8-17(20(22)24-18)21(27)23-14-16-6-4-5-7-19(16)30-3/h4-9,15H,10-14H2,1-3H3,(H2,22,24)(H,23,27)
InChIKeyVIDIDJAHJNPICC-UHFFFAOYSA-N
XLogP1.59
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809660
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 113200156
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 93486945
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867441
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
2-amino-N-(2-methoxyphenyl)-6-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 92640240
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46069191
2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46068676
4-[2-(2-methoxyphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32501062
3-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 53142922
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92640390

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 92640464) is 2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(C2CCN(S(=O)(=O)N(C)C)CC2)nc1N.
What is the InChIKey of 2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is VIDIDJAHJNPICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4S/c1-25(2)31(28,29)26-12-10-15(11-13-26)18-9-8-17(20(22)24-18)21(27)23-14-16-6-4-5-7-19(16)30-3/h4-9,15H,10-14H2,1-3H3,(H2,22,24)(H,23,27).
What are the key properties of 2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 92640464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).