1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C23H23N7O — CID 133276376

IUPAC1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1
InChIInChI=1S/C23H23N7O/c31-22(25-15-17-5-4-10-24-14-17)19-8-11-29(12-9-19)21-13-20(18-6-2-1-3-7-18)28-23-26-16-27-30(21)23/h1-7,10,13-14,16,19H,8-9,11-12,15H2,(H,25,31)
InChIKeyRQROGRBWGVROHK-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.72
Rot. Bonds5

About 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 133276376) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID133276376
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1
InChIInChI=1S/C23H23N7O/c31-22(25-15-17-5-4-10-24-14-17)19-8-11-29(12-9-19)21-13-20(18-6-2-1-3-7-18)28-23-26-16-27-30(21)23/h1-7,10,13-14,16,19H,8-9,11-12,15H2,(H,25,31)
InChIKeyRQROGRBWGVROHK-UHFFFAOYSA-N
XLogP2.72
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-phenylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90518966
[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 78799878
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133277458
1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30866618
(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 95649125
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90519455
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine
CID 127616496
N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 3227303
N-[(4-methoxyphenyl)methyl]-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 3227327
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 133276376) is 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1.
What is the InChIKey of 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is RQROGRBWGVROHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c31-22(25-15-17-5-4-10-24-14-17)19-8-11-29(12-9-19)21-13-20(18-6-2-1-3-7-18)28-23-26-16-27-30(21)23/h1-7,10,13-14,16,19H,8-9,11-12,15H2,(H,25,31).
What are the key properties of 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 133276376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).