N-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide

C21H23ClN6OS — CID 10181904

IUPACN-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)CN1CCN(c2nsnc2Cl)CC1)c1ccccn1
InChIInChI=1S/C21H23ClN6OS/c22-19-20(26-30-25-19)28-12-10-27(11-13-28)15-17(14-16-6-2-1-3-7-16)24-21(29)18-8-4-5-9-23-18/h1-9,17H,10-15H2,(H,24,29)
InChIKeyZHPWXFYDIKHBRN-UHFFFAOYSA-N
MW442.98 g/mol
LogP2.75
Rot. Bonds7

About N-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide

N-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide (PubChem CID 10181904) has the molecular formula C21H23ClN6OS and a molecular weight of 442.98 g/mol. Its IUPAC name is N-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide
PubChem CID10181904
Molecular FormulaC21H23ClN6OS
Molecular Weight442.98 g/mol
Exact Mass442.13
IUPAC NameN-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)CN1CCN(c2nsnc2Cl)CC1)c1ccccn1
InChIInChI=1S/C21H23ClN6OS/c22-19-20(26-30-25-19)28-12-10-27(11-13-28)15-17(14-16-6-2-1-3-7-16)24-21(29)18-8-4-5-9-23-18/h1-9,17H,10-15H2,(H,24,29)
InChIKeyZHPWXFYDIKHBRN-UHFFFAOYSA-N
XLogP2.75
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.98
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide
CID 96515929
N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 51102650
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide
CID 39173441
6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673906
(2S)-3-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]propanoic acid
CID 119366582
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 55932888
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-(2-morpholin-4-yl-3-phenylpropyl)pyridine-2-carboxamide
CID 110665487
N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 69012171
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide (CID 10181904) is N-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide is O=C(NC(Cc1ccccc1)CN1CCN(c2nsnc2Cl)CC1)c1ccccn1.
What is the InChIKey of N-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide?
The InChIKey is ZHPWXFYDIKHBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6OS/c22-19-20(26-30-25-19)28-12-10-27(11-13-28)15-17(14-16-6-2-1-3-7-16)24-21(29)18-8-4-5-9-23-18/h1-9,17H,10-15H2,(H,24,29).
What are the key properties of N-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide?
N-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide has a molecular weight of 442.98 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 10181904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).