6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide

C24H35N7OS — CID 25013012

IUPAC6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide
SMILESCN(C)c1nsc(N2CCC(C3CCN(c4ccc(C(=O)NC5(C)CC5)cn4)CC3)CC2)n1
InChIInChI=1S/C24H35N7OS/c1-24(10-11-24)27-21(32)19-4-5-20(25-16-19)30-12-6-17(7-13-30)18-8-14-31(15-9-18)23-26-22(28-33-23)29(2)3/h4-5,16-18H,6-15H2,1-3H3,(H,27,32)
InChIKeyIGQOBDHRERCUEY-UHFFFAOYSA-N
MW469.66 g/mol
LogP3.41
Rot. Bonds6

About 6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide

6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide (PubChem CID 25013012) has the molecular formula C24H35N7OS and a molecular weight of 469.66 g/mol. Its IUPAC name is 6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide
PubChem CID25013012
Molecular FormulaC24H35N7OS
Molecular Weight469.66 g/mol
Exact Mass469.26
IUPAC Name6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide
SMILESCN(C)c1nsc(N2CCC(C3CCN(c4ccc(C(=O)NC5(C)CC5)cn4)CC3)CC2)n1
InChIInChI=1S/C24H35N7OS/c1-24(10-11-24)27-21(32)19-4-5-20(25-16-19)30-12-6-17(7-13-30)18-8-14-31(15-9-18)23-26-22(28-33-23)29(2)3/h4-5,16-18H,6-15H2,1-3H3,(H,27,32)
InChIKeyIGQOBDHRERCUEY-UHFFFAOYSA-N
XLogP3.41
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.66
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide (CID 25013012) is 6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide is CN(C)c1nsc(N2CCC(C3CCN(c4ccc(C(=O)NC5(C)CC5)cn4)CC3)CC2)n1.
What is the InChIKey of 6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide?
The InChIKey is IGQOBDHRERCUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7OS/c1-24(10-11-24)27-21(32)19-4-5-20(25-16-19)30-12-6-17(7-13-30)18-8-14-31(15-9-18)23-26-22(28-33-23)29(2)3/h4-5,16-18H,6-15H2,1-3H3,(H,27,32).
What are the key properties of 6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide?
6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide has a molecular weight of 469.66 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide is sourced from PubChem (CID 25013012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).