5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide

C18H22ClN5O3S — CID 146525991

IUPAC5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1nc(N2CCCCC2)c(C(=O)Nc2cncc(S(N)(=O)=O)c2)c(C)c1Cl
InChIInChI=1S/C18H22ClN5O3S/c1-11-15(17(22-12(2)16(11)19)24-6-4-3-5-7-24)18(25)23-13-8-14(10-21-9-13)28(20,26)27/h8-10H,3-7H2,1-2H3,(H,23,25)(H2,20,26,27)
InChIKeyMOTKYFSDDVUARV-UHFFFAOYSA-N
MW423.93 g/mol
LogP2.64
Rot. Bonds4

About 5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide

5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525991) has the molecular formula C18H22ClN5O3S and a molecular weight of 423.93 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID146525991
Molecular FormulaC18H22ClN5O3S
Molecular Weight423.93 g/mol
Exact Mass423.11
IUPAC Name5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1nc(N2CCCCC2)c(C(=O)Nc2cncc(S(N)(=O)=O)c2)c(C)c1Cl
InChIInChI=1S/C18H22ClN5O3S/c1-11-15(17(22-12(2)16(11)19)24-6-4-3-5-7-24)18(25)23-13-8-14(10-21-9-13)28(20,26)27/h8-10H,3-7H2,1-2H3,(H,23,25)(H2,20,26,27)
InChIKeyMOTKYFSDDVUARV-UHFFFAOYSA-N
XLogP2.64
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.93
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide (CID 146525991) is 5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide is Cc1nc(N2CCCCC2)c(C(=O)Nc2cncc(S(N)(=O)=O)c2)c(C)c1Cl.
What is the InChIKey of 5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is MOTKYFSDDVUARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O3S/c1-11-15(17(22-12(2)16(11)19)24-6-4-3-5-7-24)18(25)23-13-8-14(10-21-9-13)28(20,26)27/h8-10H,3-7H2,1-2H3,(H,23,25)(H2,20,26,27).
What are the key properties of 5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 423.93 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-2-piperidin-1-yl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).