5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide

C21H22BrN7O2 — CID 90335010

IUPAC5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(C(C)(C)C)on2)cc1N1C=C(c2cncc(Br)c2)NN1
InChIInChI=1S/C21H22BrN7O2/c1-12-17(29-11-16(26-28-29)13-5-15(22)10-23-8-13)6-14(9-24-12)20(30)25-19-7-18(31-27-19)21(2,3)4/h5-11,26,28H,1-4H3,(H,25,27,30)
InChIKeyUEZSYFWFCOHOAV-UHFFFAOYSA-N
MW484.36 g/mol
LogP3.91
Rot. Bonds4

About 5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide

5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide (PubChem CID 90335010) has the molecular formula C21H22BrN7O2 and a molecular weight of 484.36 g/mol. Its IUPAC name is 5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide
PubChem CID90335010
Molecular FormulaC21H22BrN7O2
Molecular Weight484.36 g/mol
Exact Mass483.10
IUPAC Name5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(C(C)(C)C)on2)cc1N1C=C(c2cncc(Br)c2)NN1
InChIInChI=1S/C21H22BrN7O2/c1-12-17(29-11-16(26-28-29)13-5-15(22)10-23-8-13)6-14(9-24-12)20(30)25-19-7-18(31-27-19)21(2,3)4/h5-11,26,28H,1-4H3,(H,25,27,30)
InChIKeyUEZSYFWFCOHOAV-UHFFFAOYSA-N
XLogP3.91
TPSA108.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.36
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-2-ium-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide
CID 163996315
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide
CID 58563416
5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane
CID 143962309
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methyl-5-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]pyridine-3-carboxamide
CID 45256459
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]triazol-1-yl]-6-methylpyridine-3-carboxamide
CID 58563259
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methyl-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]triazol-1-yl]pyridine-3-carboxamide
CID 58563361
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide
CID 162530174
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2-fluoroethylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide
CID 53464656
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-(oxolan-3-ylamino)-3-pyridinyl]triazol-1-yl]benzamide
CID 53464532
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137390387
3-[4-[5-[4-(2-aminopropan-2-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methylbenzamide
CID 118952392

Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide (CID 90335010) is 5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide is Cc1ncc(C(=O)Nc2cc(C(C)(C)C)on2)cc1N1C=C(c2cncc(Br)c2)NN1.
What is the InChIKey of 5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is UEZSYFWFCOHOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN7O2/c1-12-17(29-11-16(26-28-29)13-5-15(22)10-23-8-13)6-14(9-24-12)20(30)25-19-7-18(31-27-19)21(2,3)4/h5-11,26,28H,1-4H3,(H,25,27,30).
What are the key properties of 5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide?
5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 484.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 90335010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).