N-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide

C20H33N5O3S — CID 123284292

IUPACN-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C20H33N5O3S/c1-22(10-11-23-8-4-3-5-9-23)20(26)19-7-6-18(16-21-19)17-24-12-14-25(15-13-24)29(2,27)28/h6-7,16H,3-5,8-15,17H2,1-2H3
InChIKeyDHZIKCQVYRVCNP-UHFFFAOYSA-N
MW423.58 g/mol
LogP0.72
Rot. Bonds7

About N-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide

N-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide (PubChem CID 123284292) has the molecular formula C20H33N5O3S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
PubChem CID123284292
Molecular FormulaC20H33N5O3S
Molecular Weight423.58 g/mol
Exact Mass423.23
IUPAC NameN-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C20H33N5O3S/c1-22(10-11-23-8-4-3-5-9-23)20(26)19-7-6-18(16-21-19)17-24-12-14-25(15-13-24)29(2,27)28/h6-7,16H,3-5,8-15,17H2,1-2H3
InChIKeyDHZIKCQVYRVCNP-UHFFFAOYSA-N
XLogP0.72
TPSA77.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide (CID 123284292) is N-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide is CN(CCN1CCCCC1)C(=O)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of N-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is DHZIKCQVYRVCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3S/c1-22(10-11-23-8-4-3-5-9-23)20(26)19-7-6-18(16-21-19)17-24-12-14-25(15-13-24)29(2,27)28/h6-7,16H,3-5,8-15,17H2,1-2H3.
What are the key properties of N-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
N-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 0.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 123284292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).