N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide

C18H20N6OS — CID 72933011

IUPACN-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCc1cccnc1CN1CCN(C(=O)Nc2cccc3nsnc23)CC1
InChIInChI=1S/C18H20N6OS/c1-13-4-3-7-19-16(13)12-23-8-10-24(11-9-23)18(25)20-14-5-2-6-15-17(14)22-26-21-15/h2-7H,8-12H2,1H3,(H,20,25)
InChIKeyNDXOCBOACCFPCJ-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.74
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide (PubChem CID 72933011) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
PubChem CID72933011
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCc1cccnc1CN1CCN(C(=O)Nc2cccc3nsnc23)CC1
InChIInChI=1S/C18H20N6OS/c1-13-4-3-7-19-16(13)12-23-8-10-24(11-9-23)18(25)20-14-5-2-6-15-17(14)22-26-21-15/h2-7H,8-12H2,1H3,(H,20,25)
InChIKeyNDXOCBOACCFPCJ-UHFFFAOYSA-N
XLogP2.74
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
CID 118793204
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 17148996
4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide
CID 72868148
2-[4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 46809920
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113107085
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide
CID 72853474
N-(3-chloro-2-methylphenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434250
N-(2-chlorophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434228
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17149004

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide (CID 72933011) is N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide is Cc1cccnc1CN1CCN(C(=O)Nc2cccc3nsnc23)CC1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide?
The InChIKey is NDXOCBOACCFPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-13-4-3-7-19-16(13)12-23-8-10-24(11-9-23)18(25)20-14-5-2-6-15-17(14)22-26-21-15/h2-7H,8-12H2,1H3,(H,20,25).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 72933011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).