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

C21H23ClN6O2 — CID 56523582

IUPAC1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)C3CCN(c4ccc(Cl)cn4)CC3)n2)cc1
InChIInChI=1S/C21H23ClN6O2/c1-30-17-5-2-14(3-6-17)20-25-18(26-27-20)13-24-21(29)15-8-10-28(11-9-15)19-7-4-16(22)12-23-19/h2-7,12,15H,8-11,13H2,1H3,(H,24,29)(H,25,26,27)
InChIKeyCLWIPTKXTIFSBX-UHFFFAOYSA-N
MW426.91 g/mol
LogP3.06
Rot. Bonds6

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

1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 56523582) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID56523582
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC Name1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)C3CCN(c4ccc(Cl)cn4)CC3)n2)cc1
InChIInChI=1S/C21H23ClN6O2/c1-30-17-5-2-14(3-6-17)20-25-18(26-27-20)13-24-21(29)15-8-10-28(11-9-15)19-7-4-16(22)12-23-19/h2-7,12,15H,8-11,13H2,1H3,(H,24,29)(H,25,26,27)
InChIKeyCLWIPTKXTIFSBX-UHFFFAOYSA-N
XLogP3.06
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

tert-butyl 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 56524382
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119776095
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 164994620
3-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119776062
1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide
CID 47918136
5-(4-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-4-carboxamide
CID 56527832
methyl 1-[N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254870
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119319162
1-(3,5-dimethylbenzoyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 56524012
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
N-[(2-chlorophenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361507

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide (CID 56523582) is 1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide is COc1ccc(-c2n[nH]c(CNC(=O)C3CCN(c4ccc(Cl)cn4)CC3)n2)cc1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is CLWIPTKXTIFSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2/c1-30-17-5-2-14(3-6-17)20-25-18(26-27-20)13-24-21(29)15-8-10-28(11-9-15)19-7-4-16(22)12-23-19/h2-7,12,15H,8-11,13H2,1H3,(H,24,29)(H,25,26,27).
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 426.91 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56523582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).