N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide

C22H29N3O3S — CID 92623231

IUPACN-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1
InChIInChI=1S/C22H29N3O3S/c1-24(14-6-9-18-7-4-3-5-8-18)22(26)20-10-11-21(23-17-20)19-12-15-25(16-13-19)29(2,27)28/h3-5,7-8,10-11,17,19H,6,9,12-16H2,1-2H3
InChIKeyOGNCHZVXISHSPT-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.93
Rot. Bonds7

About N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide

N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 92623231) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID92623231
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1
InChIInChI=1S/C22H29N3O3S/c1-24(14-6-9-18-7-4-3-5-8-18)22(26)20-10-11-21(23-17-20)19-12-15-25(16-13-19)29(2,27)28/h3-5,7-8,10-11,17,19H,6,9,12-16H2,1-2H3
InChIKeyOGNCHZVXISHSPT-UHFFFAOYSA-N
XLogP2.93
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide (CID 92623231) is N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide is CN(CCCc1ccccc1)C(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1.
What is the InChIKey of N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is OGNCHZVXISHSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-24(14-6-9-18-7-4-3-5-8-18)22(26)20-10-11-21(23-17-20)19-12-15-25(16-13-19)29(2,27)28/h3-5,7-8,10-11,17,19H,6,9,12-16H2,1-2H3.
What are the key properties of N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide?
N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 92623231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).