N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide

C15H19ClN6OS — CID 55860839

IUPACN-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide
SMILESCn1cnn(CN2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)c1=S
InChIInChI=1S/C15H19ClN6OS/c1-20-9-18-22(15(20)24)10-21-6-2-3-11(8-21)14(23)19-13-5-4-12(16)7-17-13/h4-5,7,9,11H,2-3,6,8,10H2,1H3,(H,17,19,23)
InChIKeyZWLUROYFBLYMSF-UHFFFAOYSA-N
MW366.88 g/mol
LogP2.31
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide (PubChem CID 55860839) has the molecular formula C15H19ClN6OS and a molecular weight of 366.88 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide
PubChem CID55860839
Molecular FormulaC15H19ClN6OS
Molecular Weight366.88 g/mol
Exact Mass366.10
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide
SMILESCn1cnn(CN2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)c1=S
InChIInChI=1S/C15H19ClN6OS/c1-20-9-18-22(15(20)24)10-21-6-2-3-11(8-21)14(23)19-13-5-4-12(16)7-17-13/h4-5,7,9,11H,2-3,6,8,10H2,1H3,(H,17,19,23)
InChIKeyZWLUROYFBLYMSF-UHFFFAOYSA-N
XLogP2.31
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.88
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

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N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
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CID 95282049
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CID 84564177
1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
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N-(5-chloro-2-pyridinyl)-1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47049305
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 56525502
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 56525461
(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide (CID 55860839) is N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide is Cn1cnn(CN2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)c1=S.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide?
The InChIKey is ZWLUROYFBLYMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6OS/c1-20-9-18-22(15(20)24)10-21-6-2-3-11(8-21)14(23)19-13-5-4-12(16)7-17-13/h4-5,7,9,11H,2-3,6,8,10H2,1H3,(H,17,19,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide has a molecular weight of 366.88 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55860839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).