N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide

C19H21N7OS — CID 118219077

IUPACN-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide
SMILESNc1nnc(C2CCCN(c3ccc(NC(=O)Cc4ccccn4)nc3)C2)s1
InChIInChI=1S/C19H21N7OS/c20-19-25-24-18(28-19)13-4-3-9-26(12-13)15-6-7-16(22-11-15)23-17(27)10-14-5-1-2-8-21-14/h1-2,5-8,11,13H,3-4,9-10,12H2,(H2,20,25)(H,22,23,27)
InChIKeyGMCDVTNDPUYSCJ-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.48
Rot. Bonds5

About N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide

N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide (PubChem CID 118219077) has the molecular formula C19H21N7OS and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide
PubChem CID118219077
Molecular FormulaC19H21N7OS
Molecular Weight395.49 g/mol
Exact Mass395.15
IUPAC NameN-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide
SMILESNc1nnc(C2CCCN(c3ccc(NC(=O)Cc4ccccn4)nc3)C2)s1
InChIInChI=1S/C19H21N7OS/c20-19-25-24-18(28-19)13-4-3-9-26(12-13)15-6-7-16(22-11-15)23-17(27)10-14-5-1-2-8-21-14/h1-2,5-8,11,13H,3-4,9-10,12H2,(H2,20,25)(H,22,23,27)
InChIKeyGMCDVTNDPUYSCJ-UHFFFAOYSA-N
XLogP2.48
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide (CID 118219077) is N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide is Nc1nnc(C2CCCN(c3ccc(NC(=O)Cc4ccccn4)nc3)C2)s1.
What is the InChIKey of N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide?
The InChIKey is GMCDVTNDPUYSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7OS/c20-19-25-24-18(28-19)13-4-3-9-26(12-13)15-6-7-16(22-11-15)23-17(27)10-14-5-1-2-8-21-14/h1-2,5-8,11,13H,3-4,9-10,12H2,(H2,20,25)(H,22,23,27).
What are the key properties of N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide?
N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide has a molecular weight of 395.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 118219077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).