4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

C21H26Cl2N6O2 — CID 172912636

IUPAC4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)Nc1ccc(-c2nncn2C)cc1.Cl.Cl
InChIInChI=1S/C21H24N6O2.2ClH/c1-14-9-12-27(17-7-10-22-11-8-17)21(29)18(14)20(28)24-16-5-3-15(4-6-16)19-25-23-13-26(19)2;;/h3-6,9,12-13,17,22H,7-8,10-11H2,1-2H3,(H,24,28);2*1H
InChIKeyVZFFKSLUIUPYGE-UHFFFAOYSA-N
MW465.39 g/mol
LogP2.97
Rot. Bonds4

About 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 172912636) has the molecular formula C21H26Cl2N6O2 and a molecular weight of 465.39 g/mol. Its IUPAC name is 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID172912636
Molecular FormulaC21H26Cl2N6O2
Molecular Weight465.39 g/mol
Exact Mass464.15
IUPAC Name4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)Nc1ccc(-c2nncn2C)cc1.Cl.Cl
InChIInChI=1S/C21H24N6O2.2ClH/c1-14-9-12-27(17-7-10-22-11-8-17)21(29)18(14)20(28)24-16-5-3-15(4-6-16)19-25-23-13-26(19)2;;/h3-6,9,12-13,17,22H,7-8,10-11H2,1-2H3,(H,24,28);2*1H
InChIKeyVZFFKSLUIUPYGE-UHFFFAOYSA-N
XLogP2.97
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (CID 172912636) is 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is Cc1ccn(C2CCNCC2)c(=O)c1C(=O)Nc1ccc(-c2nncn2C)cc1.Cl.Cl.
What is the InChIKey of 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is VZFFKSLUIUPYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2.2ClH/c1-14-9-12-27(17-7-10-22-11-8-17)21(29)18(14)20(28)24-16-5-3-15(4-6-16)19-25-23-13-26(19)2;;/h3-6,9,12-13,17,22H,7-8,10-11H2,1-2H3,(H,24,28);2*1H.
What are the key properties of 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 465.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 172912636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).